General Information of the Compound
| Compound ID |
CP0531018
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| Compound Name |
1-[5-methoxy-4-[[4-[(3-methoxybenzoyl)amino]pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H31N7O5
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| Molecular Weight |
545.6
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CCC(CC2)C(N)=O)n1
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| InChI |
InChI=1S/C28H31N7O5/c1-4-25(36)31-20-15-21(23(40-3)16-22(20)35-12-9-17(10-13-35)26(29)37)32-28-30-11-8-24(34-28)33-27(38)18-6-5-7-19(14-18)39-2/h4-8,11,14-17H,1,9-10,12-13H2,2-3H3,(H2,29,37)(H,31,36)(H2,30,32,33,34,38)
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| InChIKey |
CUJXINALVLYRJE-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