General Information of the Compound
| Compound ID |
CP0431061
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| Compound Name |
4-(4-(benzylcarbamoyl)-2-(3-chlorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C29H32ClN5O3
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| Molecular Weight |
534.06
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C29H32ClN5O3/c1-2-31-29(38)35-15-7-14-34(16-17-35)26-13-12-23(27(36)32-20-21-8-4-3-5-9-21)19-25(26)33-28(37)22-10-6-11-24(30)18-22/h3-6,8-13,18-19H,2,7,14-17,20H2,1H3,(H,31,38)(H,32,36)(H,33,37)
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| InChIKey |
IQCRYQOSRZPNCK-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