General Information of the Compound
| Compound ID |
CP0514285
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| Compound Name |
N-ethyl-N-[1-[3-[4-[(2-methylpropan-2-yl)oxyamino]phenyl]-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C35H47N3O4S
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| Molecular Weight |
605.845
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C35H47N3O4S/c1-6-38(34(39)26-27-12-18-32(19-13-27)43(5,40)41)31-20-23-37(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)36-42-35(2,3)4/h7-19,31,33,36H,6,20-26H2,1-5H3
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| InChIKey |
YCUBESUJZDJYCJ-UHFFFAOYSA-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