General Information of the Compound
| Compound ID |
CP0449078
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| Compound Name |
phenyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C31H39N3O4S
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| Molecular Weight |
549.737
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)Oc1ccccc1
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| InChI |
InChI=1S/C31H39N3O4S/c1-3-34(31(35)38-29-15-9-5-10-16-29)28-20-23-33(24-21-28)22-19-27(26-13-7-4-8-14-26)25-32(2)39(36,37)30-17-11-6-12-18-30/h4-18,27-28H,3,19-25H2,1-2H3/t27-/m1/s1
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| InChIKey |
IEWHJUCUTWJJSZ-HHHXNRCGSA-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