General Information of the Compound
| Compound ID |
CP0505816
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| Compound Name |
3-Acetylamino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-propionamide
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| Structure |
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| Formula |
C28H39ClN6O3
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| Molecular Weight |
543.112
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| Canonical SMILES |
CC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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| InChI |
InChI=1S/C28H39ClN6O3/c1-21(36)31-14-11-26(37)33-25(17-22-7-9-24(29)10-8-22)27(38)34-15-12-28(13-16-34,18-35-20-30-19-32-35)23-5-3-2-4-6-23/h7-10,19-20,23,25H,2-6,11-18H2,1H3,(H,31,36)(H,33,37)/t25-/m1/s1
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| InChIKey |
MFSVKNACCTUIEJ-RUZDIDTESA-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