General Information of the Compound
| Compound ID |
CP0095685
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| Compound Name |
4-amino-5-chloro-N-((3S,4R)-1-(((1S,2S)-2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide
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| Structure |
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| Formula |
C27H36ClN3O5
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| Molecular Weight |
518.054
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| Canonical SMILES |
CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C27H36ClN3O5/c1-35-24-14-22(29)21(28)13-20(24)26(33)30-23-9-11-31(16-25(23)36-2)15-18-6-3-4-10-27(18,34)17-7-5-8-19(32)12-17/h5,7-8,12-14,18,23,25,32,34H,3-4,6,9-11,15-16,29H2,1-2H3,(H,30,33)/t18-,23+,25-,27+/m0/s1
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| InChIKey |
SOEFWQWHKHCTLH-QJTHLVPVSA-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