
 FF33NL9U5G

 69 75  0  0  0  0  0  0  0  0999 V2000
    7.9997    2.5900    1.3118 C   0  0  0  0  0
    7.2321    1.3416    1.6317 C   0  0  0  0  0
    6.3391    1.4064    2.6367 N   0  0  0  0  0
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    4.9672  -16.0348   -0.0767 N   0  0  0  0  0
    3.9576  -16.7858    0.4775 C   0  0  0  0  0
    4.1832  -17.0337    1.7830 C   0  0  0  0  0
    5.7084  -16.3112    2.3613 S   0  0  0  0  0
    5.9784  -15.6896    0.7655 C   0  0  0  0  0
    6.9179  -14.9863    0.1985 N   0  0  0  0  0
    3.3200  -17.8089    2.7151 C   0  0  0  0  0
    7.7368    3.3976    2.0031 H   0  0  0  0  0
    7.7726    2.9236    0.2948 H   0  0  0  0  0
    9.0752    2.4062    1.3991 H   0  0  0  0  0
    4.9401    0.3142    3.7027 H   0  0  0  0  0
    8.1626    0.1695    0.0926 H   0  0  0  0  0
    8.9713   -2.0307    0.0805 H   0  0  0  0  0
    5.0119   -5.0487   -0.1670 H   0  0  0  0  0
    4.8133   -2.8627    0.9352 H   0  0  0  0  0
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    7.3915  -12.3977   -0.2001 H   0  0  0  0  0
    5.5418  -10.7876   -3.6075 H   0  0  0  0  0
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    2.4189  -18.1748    2.2128 H   0  0  0  0  0
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M  END

>  <Chemical Name>
FF33NL9U5G

>  <PubChem CID>
58438464

>  <Formula>
C29H32N6OS

>  <Molecular Weight>
512.676000

>  <IUPAC Name>
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC=NC(=C1)C2=CC3=C(C=C2)C(CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C

>  <Isomeric SMILES>
CC1=NC=NC(=C1)C2=CC3=C(C=C2)[C@@H](CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C

>  <InChI Std. ID>
InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1

>  <InChI Key>
ZIUDADZJCKGWKR-AREMUKBSSA-N

