General Information of the Compound
| Compound ID |
CP0433323
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| Compound Name |
N-[1-[[1-[2-(diethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C31H40N4O3S
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| Molecular Weight |
548.753
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| Canonical SMILES |
CCN(CC)CCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C31H40N4O3S/c1-3-35(4-2)20-19-32-28(36)25(21-23-13-7-5-8-14-23)33-30(38)31(17-11-6-12-18-31)34-29(37)27-22-24-15-9-10-16-26(24)39-27/h5,7-10,13-16,22,25H,3-4,6,11-12,17-21H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)
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| InChIKey |
YQCYCPFAFAWSAX-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