General Information of the Compound
| Compound ID |
CP0249044
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| Compound Name |
tert-butyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]carbamate
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| Structure |
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| Formula |
C27H39N3O4S
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| Molecular Weight |
501.693
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC(CC1)NC(=O)OC(C)(C)C)c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H39N3O4S/c1-27(2,3)34-26(31)28-24-16-19-30(20-17-24)18-15-23(22-11-7-5-8-12-22)21-29(4)35(32,33)25-13-9-6-10-14-25/h5-14,23-24H,15-21H2,1-4H3,(H,28,31)/t23-/m1/s1
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| InChIKey |
SBGKQWHYEYPEJC-HSZRJFAPSA-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