General Information of the Compound
| Compound ID |
CP0094074
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| Compound Name |
N-[[2-chloro-5-[2-[3-[4-(6-chloro-3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]propyl]-3-oxopyridazin-4-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(CCCn3nccc(-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)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44)
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| InChIKey |
LWFRBSJHBRLMJP-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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