General Information of the Compound
| Compound ID |
CP0541732
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| Compound Name |
N-[(2R)-4-[6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]butan-2-yl]-4-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C34H36ClFN4O3S
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| Molecular Weight |
635.205
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)N(C)C(=O)C2CNCCC2c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C34H36ClFN4O3S/c1-22(39(2)34(42)31-21-37-19-18-30(31)23-6-10-26(36)11-7-23)4-5-24-20-32(44-29-16-8-25(35)9-17-29)38-40(33(24)41)27-12-14-28(43-3)15-13-27/h6-17,20,22,30-31,37H,4-5,18-19,21H2,1-3H3/t22-,30?,31?/m1/s1
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| InChIKey |
VMDMREAZDDFEQM-NHFNEMGVSA-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