General Information of the Compound
| Compound ID |
CP0008775
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| Compound Name |
N-[6-(2-aminoanilino)-6-oxohexyl]-N-[2-[(3,5-dimethylphenyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
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| Structure |
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| Formula |
C32H40N4O3
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| Molecular Weight |
528.697
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| Canonical SMILES |
Cc1cc(C)cc(CNC(=O)CN(CCCCCC(=O)Nc2ccccc2N)C(=O)c2cc(C)cc(C)c2)c1
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| InChI |
InChI=1S/C32H40N4O3/c1-22-14-23(2)17-26(16-22)20-34-31(38)21-36(32(39)27-18-24(3)15-25(4)19-27)13-9-5-6-12-30(37)35-29-11-8-7-10-28(29)33/h7-8,10-11,14-19H,5-6,9,12-13,20-21,33H2,1-4H3,(H,34,38)(H,35,37)
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| InChIKey |
YEJPAUXCGZXHNF-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