General Information of the Compound
| Compound ID |
CP0916292
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| Compound Name |
3,4-Dichloro-N-((S)-1-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-2-phenyl-ethyl)-benzamide
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| Structure |
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| Formula |
C32H38Cl2N4O3
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| Molecular Weight |
597.587
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1
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| InChI |
InChI=1S/C32H38Cl2N4O3/c1-37(2)16-6-18-41-27-12-9-24(10-13-27)21-38-17-15-26(22-38)35-32(40)30(19-23-7-4-3-5-8-23)36-31(39)25-11-14-28(33)29(34)20-25/h3-5,7-14,20,26,30H,6,15-19,21-22H2,1-2H3,(H,35,40)(H,36,39)/t26-,30-/m0/s1
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| InChIKey |
INQGOZPUMJRPOU-YZNIXAGQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound