General Information of the Compound
| Compound ID |
CP0461906
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| Compound Name |
N-[1-[[1-[2-[di(propan-2-yl)amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C33H44N4O3S
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| Molecular Weight |
576.807
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| Canonical SMILES |
CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(C)C
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| InChI |
InChI=1S/C33H44N4O3S/c1-23(2)37(24(3)4)20-19-34-30(38)27(21-25-13-7-5-8-14-25)35-32(40)33(17-11-6-12-18-33)36-31(39)29-22-26-15-9-10-16-28(26)41-29/h5,7-10,13-16,22-24,27H,6,11-12,17-21H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)
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| InChIKey |
SSKNMQIMSPFPDK-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