General Information of the Compound
| Compound ID |
CP0039516
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| Compound Name |
4-amino-5-chloro-N-(2-((((1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl)methyl)(methyl)amino)ethyl)-2-methoxybenzamide
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| Structure |
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| Formula |
C25H34ClN3O4
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| Molecular Weight |
476.017
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| Canonical SMILES |
COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C25H34ClN3O4/c1-29(12-11-28-24(30)20-14-21(26)22(27)15-23(20)33-3)16-18-7-4-5-10-25(18,31)17-8-6-9-19(13-17)32-2/h6,8-9,13-15,18,31H,4-5,7,10-12,16,27H2,1-3H3,(H,28,30)/t18-,25+/m1/s1
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| InChIKey |
OHGAQBAXUOYIOB-CJAUYULYSA-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