General Information of the Compound
| Compound ID |
CP0181087
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C25H39ClN4O4
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| Molecular Weight |
495.064
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| Canonical SMILES |
CO[C@@H]1CN(CC2CCN(CC2)C(=O)CC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C25H39ClN4O4/c1-16(2)11-24(31)30-9-5-17(6-10-30)14-29-8-7-21(23(15-29)34-4)28-25(32)18-12-19(26)20(27)13-22(18)33-3/h12-13,16-17,21,23H,5-11,14-15,27H2,1-4H3,(H,28,32)/t21-,23+/m0/s1
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| InChIKey |
WSPNNVDXCMLSRK-JTHBVZDNSA-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