General Information of the Compound
| Compound ID |
CP0501160
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| Compound Name |
(4-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]-N-propylcarbamate
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| Structure |
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| Formula |
C34H43ClN4O5S
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| Molecular Weight |
655.261
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| Canonical SMILES |
CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C34H43ClN4O5S/c1-3-19-39(34(41)44-25-26-12-14-27(15-13-26)33(36)40)31-17-21-38(22-18-31)20-16-29(28-8-7-9-30(35)23-28)24-37(2)45(42,43)32-10-5-4-6-11-32/h4-15,23,29,31H,3,16-22,24-25H2,1-2H3,(H2,36,40)/t29-/m1/s1
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| InChIKey |
KIFOBRKKDFKEIA-GDLZYMKVSA-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