General Information of the Compound
| Compound ID |
CP0263076
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| Compound Name |
(3-methylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-propylcarbamate
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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 |
CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1cccc(C)c1
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| InChI |
InChI=1S/C34H45N3O4S/c1-4-21-37(34(38)41-27-29-13-11-12-28(2)25-29)32-19-23-36(24-20-32)22-18-31(30-14-7-5-8-15-30)26-35(3)42(39,40)33-16-9-6-10-17-33/h5-17,25,31-32H,4,18-24,26-27H2,1-3H3/t31-/m1/s1
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| InChIKey |
JVWVDAKGTFBARH-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