General Information of the Compound
| Compound ID |
CP0559646
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| Compound Name |
ethyl 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 |
C30H31Cl3N4O4
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| Molecular Weight |
617.961
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| Canonical SMILES |
CCOC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C30H31Cl3N4O4/c1-2-41-30(40)37-14-4-13-36(15-16-37)27-10-8-22(18-26(27)35-29(39)21-5-3-6-23(31)17-21)28(38)34-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,38)(H,35,39)
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| InChIKey |
JDDJZTGNRURYHE-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