General Information of the Compound
| Compound ID |
CP0559647
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| Compound Name |
4-(2-(3-chlorobenzamido)-4-(isopropylcarbamoyl)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C25H32ClN5O3
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| Molecular Weight |
486.016
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| Canonical SMILES |
CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NC(C)C
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| InChI |
InChI=1S/C25H32ClN5O3/c1-4-27-25(34)31-12-6-11-30(13-14-31)22-10-9-19(23(32)28-17(2)3)16-21(22)29-24(33)18-7-5-8-20(26)15-18/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)
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| InChIKey |
VOLHEDJKVLFUHL-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