General Information of the Compound
| Compound ID |
CP0095682
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| Compound Name |
4-amino-5-chloro-N-(2-((((1S,2S)-2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl)methyl)(methyl)amino)ethyl)-2-methoxybenzamide
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| Structure |
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| Formula |
C24H32ClN3O4
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| Molecular Weight |
461.99
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1
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| InChI |
InChI=1S/C24H32ClN3O4/c1-28(11-10-27-23(30)19-13-20(25)21(26)14-22(19)32-2)15-17-6-3-4-9-24(17,31)16-7-5-8-18(29)12-16/h5,7-8,12-14,17,29,31H,3-4,6,9-11,15,26H2,1-2H3,(H,27,30)/t17-,24+/m0/s1
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| InChIKey |
HFOUMBDMIJJHCK-BXKMTCNYSA-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