General Information of the Compound
| Compound ID |
CP0388284
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| Compound Name |
methyl 4-benzyl-1-[(3S)-3-(cyclobutanecarbonylamino)-3-naphthalen-1-ylpropyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C32H38N2O3
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| Molecular Weight |
498.667
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| Canonical SMILES |
COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C32H38N2O3/c1-37-31(36)32(23-24-9-3-2-4-10-24)18-21-34(22-19-32)20-17-29(33-30(35)26-13-7-14-26)28-16-8-12-25-11-5-6-15-27(25)28/h2-6,8-12,15-16,26,29H,7,13-14,17-23H2,1H3,(H,33,35)/t29-/m0/s1
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| InChIKey |
VUJNAFHGPRIXFY-LJAQVGFWSA-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