General Information of the Compound
| Compound ID |
CP0476648
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| Compound Name |
benzyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-butylcarbamate
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| Structure |
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| Formula |
C34H45N3O4S
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| Molecular Weight |
591.818
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| Canonical SMILES |
CCCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C34H45N3O4S/c1-3-4-23-37(34(38)41-28-29-14-8-5-9-15-29)32-21-25-36(26-22-32)24-20-31(30-16-10-6-11-17-30)27-35(2)42(39,40)33-18-12-7-13-19-33/h5-19,31-32H,3-4,20-28H2,1-2H3/t31-/m1/s1
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| InChIKey |
XEUUSWNADIRPSG-WJOKGBTCSA-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