General Information of the Compound
| Compound ID |
CP0959238
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| Compound Name |
(S)-N-(4-(4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methyl-4-oxobutan-2-yl)-4,6-dimethylnicotinamide trifluoroacetate
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| Structure |
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| Formula |
C28H35ClF3N3O5
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| Molecular Weight |
586.051
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| Canonical SMILES |
Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H34ClN3O3.C2HF3O2/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19;3-2(4,5)1(6)7/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32);(H,6,7)/t26-;/m0./s1
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| InChIKey |
CJOJLASPZOBDRI-SNYZSRNZSA-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