General Information of the Compound
| Compound ID |
CP0499346
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| Compound Name |
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]amino]ethyl]-2-(methylamino)propanamide
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| Structure |
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| Formula |
C25H40N4O2
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| Molecular Weight |
428.621
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2ccccc2)C1
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| InChI |
InChI=1S/C25H40N4O2/c1-19(26-2)24(30)28-23(21-12-7-4-8-13-21)25(31)27-22-14-9-16-29(18-22)17-15-20-10-5-3-6-11-20/h3,5-6,10-11,19,21-23,26H,4,7-9,12-18H2,1-2H3,(H,27,31)(H,28,30)/t19-,22-,23-/m0/s1
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| InChIKey |
BLJRIUMEKILZNZ-VJBMBRPKSA-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