General Information of the Compound
| Compound ID |
CP0428496
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| Compound Name |
N-[1-[[1-[3-(1-methylpyrrolidin-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C33H42N4O3S
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| Molecular Weight |
574.791
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| Canonical SMILES |
CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C33H42N4O3S/c1-37-21-11-16-26(37)15-10-20-34-30(38)27(22-24-12-4-2-5-13-24)35-32(40)33(18-8-3-9-19-33)36-31(39)29-23-25-14-6-7-17-28(25)41-29/h2,4-7,12-14,17,23,26-27H,3,8-11,15-16,18-22H2,1H3,(H,34,38)(H,35,40)(H,36,39)
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| InChIKey |
YCMNXNTUMHDKAF-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