General Information of the Compound
| Compound ID |
CP0441530
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| Compound Name |
4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlorobenzamido)phenyl)-N-isopropyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C31H34Cl3N5O3
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| Molecular Weight |
631.004
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| Canonical SMILES |
CC(C)NC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C31H34Cl3N5O3/c1-20(2)36-31(42)39-14-4-13-38(15-16-39)28-10-8-23(18-27(28)37-30(41)22-5-3-6-24(32)17-22)29(40)35-12-11-21-7-9-25(33)19-26(21)34/h3,5-10,17-20H,4,11-16H2,1-2H3,(H,35,40)(H,36,42)(H,37,41)
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| InChIKey |
SZSOOVFYMGFERA-UHFFFAOYSA-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