General Information of the Compound
| Compound ID |
CP0891838
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| Compound Name |
2-[(S)-1-(4-chlorophenyl)-2-methylpropylamino]-3-methoxy-6-(pyrazolo[1,5-a]pyridine-2-carbonyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H27ClN6O3
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| Molecular Weight |
506.994
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| Canonical SMILES |
COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccn3n1)CC2
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| InChI |
InChI=1S/C26H27ClN6O3/c1-16(2)23(17-7-9-18(27)10-8-17)29-26-28-21-11-13-31(15-20(21)24(34)33(26)36-3)25(35)22-14-19-6-4-5-12-32(19)30-22/h4-10,12,14,16,23H,11,13,15H2,1-3H3,(H,28,29)/t23-/m0/s1
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| InChIKey |
ZLKSDPRCMGVKDQ-QHCPKHFHSA-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