General Information of the Compound
| Compound ID |
CP0463708
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| Compound Name |
benzyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(cyclohexylmethyl)carbamate
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| Structure |
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| Formula |
C37H49N3O4S
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| Molecular Weight |
631.883
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC(CC1)N(CC1CCCCC1)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C37H49N3O4S/c1-38(45(42,43)36-20-12-5-13-21-36)29-34(33-18-10-4-11-19-33)22-25-39-26-23-35(24-27-39)40(28-31-14-6-2-7-15-31)37(41)44-30-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,34-35H,2,6-7,14-15,22-30H2,1H3/t34-/m1/s1
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| InChIKey |
NANYKPSEZCGDPM-UUWRZZSWSA-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