General Information of the Compound
| Compound ID |
CP0891839
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| Compound Name |
2-[(S)-1-(4-chlorophenyl)-2-methylpropylamino]-6-(4-imidazol-1-ylbenzoyl)-3-methoxy-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H29ClN6O3
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| Molecular Weight |
533.032
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| Canonical SMILES |
COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2
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| InChI |
InChI=1S/C28H29ClN6O3/c1-18(2)25(19-4-8-21(29)9-5-19)32-28-31-24-12-14-33(16-23(24)27(37)35(28)38-3)26(36)20-6-10-22(11-7-20)34-15-13-30-17-34/h4-11,13,15,17-18,25H,12,14,16H2,1-3H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
CQMGWYKAOYFMGL-VWLOTQADSA-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