General Information of the Compound
| Compound ID |
CP0010886
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| Compound Name |
N-(2-aminophenyl)-4-[[[2-(benzylamino)-2-oxoethyl]-[4-(dimethylamino)benzoyl]amino]methyl]benzamide
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| Structure |
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| Formula |
C32H33N5O3
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| Molecular Weight |
535.648
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
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| InChI |
InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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| InChIKey |
SIRNCVDOMIOFAK-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