General Information of the Compound
| Compound ID |
CP0393708
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| Compound Name |
6-chloro-N-[(3R)-3-[4-[4-(2-methoxyethoxy)-N-[(4-methylpyridin-3-yl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C33H44ClN5O3
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| Molecular Weight |
594.2
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| Canonical SMILES |
COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C
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| InChI |
InChI=1S/C33H44ClN5O3/c1-23-10-14-35-21-27(23)22-39(28-6-8-30(9-7-28)42-19-18-41-5)29-12-16-38(17-13-29)25(3)11-15-36-33(40)32-24(2)20-31(34)37-26(32)4/h6-10,14,20-21,25,29H,11-13,15-19,22H2,1-5H3,(H,36,40)/t25-/m1/s1
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| InChIKey |
XREHSIWRPQXZMA-RUZDIDTESA-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