General Information of the Compound
| Compound ID |
CP0031490
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| Compound Name |
2-[2-(2-methoxyanilino)-5-methylpyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
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| Structure |
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| Formula |
C26H28N6O3
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| Molecular Weight |
472.549
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| Canonical SMILES |
COc1ccccc1Nc1ncc(C)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O
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| InChI |
InChI=1S/C26H28N6O3/c1-4-21(33)32-11-9-26(10-12-32)15-28-24(34)17-13-19(29-23(17)26)22-16(2)14-27-25(31-22)30-18-7-5-6-8-20(18)35-3/h4-8,13-14,29H,1,9-12,15H2,2-3H3,(H,28,34)(H,27,30,31)
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| InChIKey |
OFCZHXDIAWONMM-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