General Information of the Compound
| Compound ID |
CP0577578
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| Compound Name |
3-amino-5-[4-[[4-(4-cyanophenyl)pyridin-2-yl]carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C31H28N8O3
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| Molecular Weight |
560.618
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C31H28N8O3/c1-2-26(40)38-16-4-3-5-24(38)30-37-27(28(29(33)41)39(30)34)21-10-12-22(13-11-21)31(42)36-25-17-23(14-15-35-25)20-8-6-19(18-32)7-9-20/h2,6-15,17,24H,1,3-5,16,34H2,(H2,33,41)(H,35,36,42)/t24-/m0/s1
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| InChIKey |
BSKXMMBGZJNNLH-DEOSSOPVSA-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