General Information of the Compound
| Compound ID |
CP0523771
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| Compound Name |
3,5-dichloro-N-[3-[4-[N-[(3-cyanophenyl)methyl]-4-methoxyanilino]piperidin-1-yl]butyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C30H33Cl2N5O2
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| Molecular Weight |
566.533
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1cccc(c1)C#N)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C30H33Cl2N5O2/c1-21(10-13-35-30(38)29-27(31)18-34-19-28(29)32)36-14-11-25(12-15-36)37(24-6-8-26(39-2)9-7-24)20-23-5-3-4-22(16-23)17-33/h3-9,16,18-19,21,25H,10-15,20H2,1-2H3,(H,35,38)
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| InChIKey |
GCAGZWHOGGISNK-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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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