General Information of the Compound
| Compound ID |
CP0377786
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| Compound Name |
N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-phenyl-N-propylpropanamide
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| Structure |
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| Formula |
C34H45N3O3S
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| Molecular Weight |
575.819
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| Canonical SMILES |
CCCN(C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C34H45N3O3S/c1-3-24-37(34(38)20-19-29-13-7-4-8-14-29)32-22-26-36(27-23-32)25-21-31(30-15-9-5-10-16-30)28-35(2)41(39,40)33-17-11-6-12-18-33/h4-18,31-32H,3,19-28H2,1-2H3/t31-/m0/s1
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| InChIKey |
YGMVKHHAYZQLBJ-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