General Information of the Compound
| Compound ID |
CP0540285
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| Compound Name |
4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-cyanobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C31H32Cl2N6O3
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| Molecular Weight |
607.542
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)C#N)C(=O)NCCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C31H32Cl2N6O3/c1-2-35-31(42)39-14-4-13-38(15-16-39)28-10-8-24(29(40)36-12-11-22-7-9-25(32)19-26(22)33)18-27(28)37-30(41)23-6-3-5-21(17-23)20-34/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,35,42)(H,36,40)(H,37,41)
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| InChIKey |
NSABCIRYOONEOM-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