General Information of the Compound
| Compound ID |
CP0441531
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| Compound Name |
4-(2-(3-chlorobenzamido)-4-((cyclopropylmethyl)carbamoyl)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C26H32ClN5O3
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| Molecular Weight |
498.027
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCC1CC1
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| InChI |
InChI=1S/C26H32ClN5O3/c1-2-28-26(35)32-12-4-11-31(13-14-32)23-10-9-20(24(33)29-17-18-7-8-18)16-22(23)30-25(34)19-5-3-6-21(27)15-19/h3,5-6,9-10,15-16,18H,2,4,7-8,11-14,17H2,1H3,(H,28,35)(H,29,33)(H,30,34)
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| InChIKey |
QUAGJIORTMNLAA-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