General Information of the Compound
| Compound ID |
CP0464643
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| Compound Name |
N-[(2R)-1-[[(2R)-1-(4-butanoyl-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-2-yl)-1-oxopropan-2-yl]benzamide
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| Structure |
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| Formula |
C37H46ClN5O4
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| Molecular Weight |
660.259
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| Canonical SMILES |
CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ncc[nH]1)NC(=O)c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C37H46ClN5O4/c1-2-9-32(44)37(28-12-7-4-8-13-28)18-22-43(23-19-37)36(47)31(24-26-14-16-29(38)17-15-26)42-35(46)30(25-33-39-20-21-40-33)41-34(45)27-10-5-3-6-11-27/h3,5-6,10-11,14-17,20-21,28,30-31H,2,4,7-9,12-13,18-19,22-25H2,1H3,(H,39,40)(H,41,45)(H,42,46)/t30-,31-/m1/s1
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| InChIKey |
IOZUOFYJYFUOSK-FIRIVFDPSA-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