General Information of the Compound
| Compound ID |
CP0569305
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| Compound Name |
2-[5-chloro-2-(2-methoxyanilino)pyrimidin-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 |
C25H25ClN6O3
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| Molecular Weight |
492.967
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| Canonical SMILES |
COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O
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| InChI |
InChI=1S/C25H25ClN6O3/c1-3-20(33)32-10-8-25(9-11-32)14-28-23(34)15-12-18(29-22(15)25)21-16(26)13-27-24(31-21)30-17-6-4-5-7-19(17)35-2/h3-7,12-13,29H,1,8-11,14H2,2H3,(H,28,34)(H,27,30,31)
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| InChIKey |
FWFZHVUNVPMLSR-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