General Information of the Compound
| Compound ID |
CP0419354
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| Compound Name |
1-[(2S)-2-(hexanoylamino)-2-(4-phenylmethoxyphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
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| Formula |
C33H39N3O4
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| Molecular Weight |
541.692
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)Nc1ccccc1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C33H39N3O4/c1-2-3-6-15-30(37)35-31(26-16-18-29(19-17-26)40-24-25-11-7-4-8-12-25)33(39)36-22-20-27(21-23-36)32(38)34-28-13-9-5-10-14-28/h4-5,7-14,16-19,27,31H,2-3,6,15,20-24H2,1H3,(H,34,38)(H,35,37)/t31-/m0/s1
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| InChIKey |
WUPBOIFEUCRROC-HKBQPEDESA-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