General Information of the Compound
| Compound ID |
CP0179315
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| Compound Name |
N-(2-aminophenyl)-4-(3-methyl-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C27H33N5O
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| Molecular Weight |
443.595
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| Canonical SMILES |
CC(C)N1CCN(Cc2cnc(c(C)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
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| InChI |
InChI=1S/C27H33N5O/c1-19(2)32-14-12-31(13-15-32)18-21-16-20(3)26(29-17-21)22-8-10-23(11-9-22)27(33)30-25-7-5-4-6-24(25)28/h4-11,16-17,19H,12-15,18,28H2,1-3H3,(H,30,33)
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| InChIKey |
CZEDAPGUDUPBHW-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