
 CHEMBL1907653

 87 90  0  0  0  0  0  0  0  0999 V2000
    7.4284   13.7704   -2.2212 C   0  0  0  0  0
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   11.6218    5.9609    2.1602 H   0  0  0  0  0
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    7.7528   -0.6404  -14.0717 H   0  0  0  0  0
   10.1923   -0.9925  -13.7884 H   0  0  0  0  0
   11.1393   -1.2607  -11.5114 H   0  0  0  0  0
    9.6997   -1.1231   -9.5431 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1907653

>  <PubChem CID>
10886849

>  <Formula>
C32H42ClN7O4S

>  <Molecular Weight>
656.243000

>  <IUPAC Name>
(2S)-1-[4-[2-(benzhydrylcarbamoyl)hydrazinyl]-3-chlorophenyl]sulfonyl-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]pyrrolidine-2-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

>  <Isomeric SMILES>
CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C32H42ClN7O4S/c1-38(2)21-22-39(3)20-18-34-31(41)29-15-10-19-40(29)45(43,44)26-16-17-28(27(33)23-26)36-37-32(42)35-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,29-30,36H,10,15,18-22H2,1-3H3,(H,34,41)(H2,35,37,42)/t29-/m0/s1

>  <InChI Key>
JCXZWRRTUALXAQ-LJAQVGFWSA-N

