
 CHEMBL2334981

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.5483   -1.0466   -1.5256 C   0  0  0  0  0
    3.9096   -0.3741   -1.7026 C   0  0  0  0  0
    4.1354    0.4952   -2.9276 C   0  0  0  0  0
    3.7991    1.1395   -1.5706 C   0  0  0  0  0
    5.0015    1.9299   -1.0976 C   0  0  0  0  0
    6.0438    1.3496   -0.8356 O   0  0  0  0  0
    4.8956    3.2849   -0.9544 N   0  0  0  0  0
    5.9745    4.1373   -0.5396 C   0  0  0  0  0
    5.9620    5.5449   -0.2979 C   0  0  0  0  0
    7.3247    6.0563   -0.0716 C   0  0  0  0  0
    8.3068    5.1067   -0.1351 N   0  0  0  0  0
    7.5504    3.6951   -0.4371 S   0  0  0  0  0
    7.7512    7.4613    0.2135 C   0  0  0  0  0
    9.0540    7.8490   -0.1967 C   0  0  0  0  0
    9.4714    9.1451    0.0534 C   0  0  0  0  0
   10.6416    9.8041   -0.2371 C   0  0  0  0  0
   10.5218   11.0661    0.2310 N   0  0  0  0  0
    9.3305   11.2253    0.8042 N   0  0  0  0  0
    8.6817   10.0503    0.6961 C   0  0  0  0  0
    7.4086    9.7200    1.1467 C   0  0  0  0  0
    6.9396    8.4098    0.9071 C   0  0  0  0  0
   11.5311   12.1094    0.1298 C   0  0  0  0  0
    4.7233    6.3921   -0.3705 C   0  0  0  0  0
    4.8194    7.6877   -0.7843 N   0  0  0  0  0
    3.7376    8.5090   -0.8988 C   0  0  0  0  0
    2.4591    8.0094   -0.6086 C   0  0  0  0  0
    2.3244    6.6967   -0.1694 C   0  0  0  0  0
    3.4506    5.8874   -0.0350 C   0  0  0  0  0
    3.9428    9.9491   -1.3116 C   0  0  0  0  0
    3.2766   10.2429   -2.6586 C   0  0  0  0  0
    3.4255   10.9029   -0.2244 C   0  0  0  0  0
    0.9236   -3.1325    1.2350 Cl  0  0  0  0  0
    2.2648   -1.0112   -0.4535 H   0  0  0  0  0
    2.6254   -2.1079   -1.8394 H   0  0  0  0  0
    1.7475   -0.5572   -2.1208 H   0  0  0  0  0
    4.7764   -0.7559   -1.1222 H   0  0  0  0  0
    3.3081    0.2899   -3.6403 H   0  0  0  0  0
    5.1851    0.2853   -3.2259 H   0  0  0  0  0
    2.8511    1.6879   -1.7621 H   0  0  0  0  0
    3.9985    3.7083   -1.2099 H   0  0  0  0  0
    9.7131    7.1631   -0.7145 H   0  0  0  0  0
   11.5095    9.4061   -0.7487 H   0  0  0  0  0
    6.7974   10.4442    1.6708 H   0  0  0  0  0
    5.9657    8.1377    1.2846 H   0  0  0  0  0
   11.1674   13.0469    0.5967 H   0  0  0  0  0
   11.7599   12.3039   -0.9408 H   0  0  0  0  0
   12.4598   11.7830    0.6458 H   0  0  0  0  0
    1.5811    8.6350   -0.6980 H   0  0  0  0  0
    1.3448    6.3084    0.0802 H   0  0  0  0  0
    3.3173    4.8882    0.3475 H   0  0  0  0  0
    5.0349   10.1301   -1.4305 H   0  0  0  0  0
    2.1777   10.0915   -2.6073 H   0  0  0  0  0
    3.6968    9.5754   -3.4407 H   0  0  0  0  0
    3.4754   11.2947   -2.9578 H   0  0  0  0  0
    2.3291   10.7934   -0.0805 H   0  0  0  0  0
    3.6320   11.9572   -0.5067 H   0  0  0  0  0
    3.9322   10.6941    0.7419 H   0  0  0  0  0
    0.5186   -2.9540   -0.0677 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 15 16  2  0  0  0
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 32 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2334981

>  <PubChem CID>
67103335

>  <Formula>
C24H26ClN5OS

>  <Molecular Weight>
468.016000

>  <IUPAC Name>
(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-ylpyridin-2-yl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC1C(=O)NC2=C(C(=NS2)C3=CC4=CN(N=C4C=C3)C)C5=NC(=CC=C5)C(C)C.Cl

>  <Isomeric SMILES>
C[C@@H]1C[C@H]1C(=O)NC2=C(C(=NS2)C3=CC4=CN(N=C4C=C3)C)C5=NC(=CC=C5)C(C)C.Cl

>  <InChI Std. ID>
InChI=1S/C24H25N5OS.ClH/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3;/h5-9,11-14,17H,10H2,1-4H3,(H,26,30);1H/t14-,17-;/m1./s1

>  <InChI Key>
AVDWDZWWKUBPKK-SATBOSKTSA-N

