General Information of the Compound
| Compound ID |
CP0493706
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| Compound Name |
3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-2,2-dimethyl-propionamide
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| Structure |
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| Formula |
C28H41ClN6O2
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| Molecular Weight |
529.129
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| Canonical SMILES |
CC(C)(CN)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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| InChI |
InChI=1S/C28H41ClN6O2/c1-27(2,17-30)26(37)33-24(16-21-8-10-23(29)11-9-21)25(36)34-14-12-28(13-15-34,18-35-20-31-19-32-35)22-6-4-3-5-7-22/h8-11,19-20,22,24H,3-7,12-18,30H2,1-2H3,(H,33,37)/t24-/m1/s1
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| InChIKey |
HVOCITBTOKXRGF-XMMPIXPASA-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