General Information of the Compound
| Compound ID |
CP0388160
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| Compound Name |
N-(2-aminoethyl)-3-[3-cyano-6-(2-hydroxyphenyl)-2-[(4-methoxybenzoyl)amino]pyridin-4-yl]benzamide
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| Structure |
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| Formula |
C29H25N5O4
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| Molecular Weight |
507.55
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(cc(-c2cccc(c2)C(=O)NCCN)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C29H25N5O4/c1-38-21-11-9-18(10-12-21)29(37)34-27-24(17-31)23(16-25(33-27)22-7-2-3-8-26(22)35)19-5-4-6-20(15-19)28(36)32-14-13-30/h2-12,15-16,35H,13-14,30H2,1H3,(H,32,36)(H,33,34,37)
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| InChIKey |
QYYSXFMVHCIZSK-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