
 CHEMBL1834415

 75 81  0  0  0  0  0  0  0  0999 V2000
    0.4328    0.3880   -1.2195 C   0  0  0  0  0
    1.2752    1.4900   -0.5126 C   0  0  0  0  0
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    0.0015    6.6077    4.0097 N   0  0  0  0  0
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    0.8677   -0.8093    1.0180 H   0  0  0  0  0
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    2.5190   -0.3012    1.4075 H   0  0  0  0  0
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    2.4649    4.4682    1.2974 H   0  0  0  0  0
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    3.6733    3.4699    3.1455 H   0  0  0  0  0
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    2.2269    5.2917    6.2745 H   0  0  0  0  0
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    1.4912    7.3488    5.3281 H   0  0  0  0  0
    0.1117    6.2506    1.9416 H   0  0  0  0  0
    1.8315    8.1342    2.6035 H   0  0  0  0  0
    2.3498    6.9046    1.4618 H   0  0  0  0  0
    6.4728    7.5518    4.4238 H   0  0  0  0  0
    6.2585    4.3469    5.9664 H   0  0  0  0  0
   -1.1975    7.8653    2.8363 H   0  0  0  0  0
    0.0831    8.7154    3.7043 H   0  0  0  0  0
   -2.1841    7.3379    5.2031 H   0  0  0  0  0
   -0.5185    9.9574    5.6903 H   0  0  0  0  0
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   -2.2903   10.1496    3.9111 H   0  0  0  0  0
    4.6521    1.3300    4.3253 H   0  0  0  0  0
    4.2190    0.8416    2.6588 H   0  0  0  0  0
    4.1845   -0.3336    3.9794 H   0  0  0  0  0
   -0.6276    2.3007    0.9799 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1834415

>  <PubChem CID>
56661555

>  <Formula>
C29H40ClNO4

>  <Molecular Weight>
502.092000

>  <IUPAC Name>


>  <XlogP>
5.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C(C=C(C(=C56)O4)O)Cl)CC7CC7)OC)O

>  <Isomeric SMILES>
C[C@@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C(C=C(C(=C56)O4)O)Cl)CC7CC7)OC)(C(C)(C)C)O

>  <InChI Std. ID>
InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1

>  <InChI Key>
ARMVYVANYSKLSH-LDFHUFRKSA-N

