General Information of the Compound
| Compound ID |
CP0151063
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| Compound Name |
N-[[2-chloro-5-[1-[3-[4-(6-chloro-3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]propyl]-6-oxopyrimidin-5-yl]phenyl]methyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C34H33Cl2FN6O3
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| Molecular Weight |
663.581
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| Canonical SMILES |
Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3cncc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O
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| InChI |
InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)18-31(30)43(34(40)46)27-11-15-41(16-12-27)13-2-14-42-21-38-20-28(33(42)45)23-5-9-29(36)24(17-23)19-39-32(44)22-3-7-26(37)8-4-22/h3-10,17-18,20-21,27H,2,11-16,19H2,1H3,(H,39,44)
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| InChIKey |
UUSUCXDJVSXCBL-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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