General Information of the Compound
| Compound ID |
CP0540220
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| Compound Name |
(S)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((1-(2-(pyridin-2-yl)ethyl)piperidin-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C34H36ClF2N5O2
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| Molecular Weight |
620.144
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| Canonical SMILES |
Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@@H]2CCCCN2CCc2ccccn2)c1=O
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| InChI |
InChI=1S/C34H36ClF2N5O2/c35-25-12-10-24(11-13-25)20-39-18-15-32-29(22-39)33(43)42(34(44)41(32)23-28-30(36)8-5-9-31(28)37)21-27-7-2-4-17-40(27)19-14-26-6-1-3-16-38-26/h1,3,5-6,8-13,16,27H,2,4,7,14-15,17-23H2/t27-/m0/s1
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| InChIKey |
OVDCJBUZBMVLSU-MHZLTWQESA-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