General Information of the Compound
| Compound ID |
CP0007791
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| Compound Name |
N-[6-(2-aminoanilino)-6-oxohexyl]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
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| Structure |
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| Formula |
C31H38N4O4
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| Molecular Weight |
530.669
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| Canonical SMILES |
COc1ccc(CNC(=O)CN(CCCCCC(=O)Nc2ccccc2N)C(=O)c2cc(C)cc(C)c2)cc1
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| InChI |
InChI=1S/C31H38N4O4/c1-22-17-23(2)19-25(18-22)31(38)35(21-30(37)33-20-24-12-14-26(39-3)15-13-24)16-8-4-5-11-29(36)34-28-10-7-6-9-27(28)32/h6-7,9-10,12-15,17-19H,4-5,8,11,16,20-21,32H2,1-3H3,(H,33,37)(H,34,36)
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| InChIKey |
RGNQNFZOMAIYEK-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