General Information of the Compound
| Compound ID |
CP0015318
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| Compound Name |
N-[6-(2-aminoanilino)-6-oxohexyl]-N-[2-(benzylamino)-2-oxoethyl]-3,5-dimethylbenzamide
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| Structure |
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| Formula |
C30H36N4O3
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| Molecular Weight |
500.643
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C30H36N4O3/c1-22-17-23(2)19-25(18-22)30(37)34(21-29(36)32-20-24-11-5-3-6-12-24)16-10-4-7-15-28(35)33-27-14-9-8-13-26(27)31/h3,5-6,8-9,11-14,17-19H,4,7,10,15-16,20-21,31H2,1-2H3,(H,32,36)(H,33,35)
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| InChIKey |
USDBLESFYQSNAR-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