General Information of the Compound
| Compound ID |
CP0071258
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| Compound Name |
4-amino-5-chloro-N-((3R,4S)-1-(((1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide
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| Structure |
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| Formula |
C28H38ClN3O5
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| Molecular Weight |
532.081
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| Canonical SMILES |
CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C28H38ClN3O5/c1-35-20-9-6-8-18(13-20)28(34)11-5-4-7-19(28)16-32-12-10-24(26(17-32)37-3)31-27(33)21-14-22(29)23(30)15-25(21)36-2/h6,8-9,13-15,19,24,26,34H,4-5,7,10-12,16-17,30H2,1-3H3,(H,31,33)/t19-,24+,26-,28+/m1/s1
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| InChIKey |
POJMJIIKSJRQPV-OZJYBUQCSA-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