General Information of the Compound
| Compound ID |
CP0516008
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| Compound Name |
methyl 4-[2-[(3-chlorobenzoyl)amino]-4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl]-1,4-diazepane-1-carboxylate
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| Structure |
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| Formula |
C29H29Cl3N4O4
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| Molecular Weight |
603.934
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| Canonical SMILES |
COC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C29H29Cl3N4O4/c1-40-29(39)36-13-3-12-35(14-15-36)26-9-7-21(17-25(26)34-28(38)20-4-2-5-22(30)16-20)27(37)33-11-10-19-6-8-23(31)18-24(19)32/h2,4-9,16-18H,3,10-15H2,1H3,(H,33,37)(H,34,38)
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| InChIKey |
ZQFPLFFLEWDTJL-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