General Information of the Compound
| Compound ID |
CP0461912
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| Compound Name |
N-[1-[[1-[3-(diethylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C32H42N4O3S
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| Molecular Weight |
562.78
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| Canonical SMILES |
CCN(CC)CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C32H42N4O3S/c1-3-36(4-2)21-13-20-33-29(37)26(22-24-14-7-5-8-15-24)34-31(39)32(18-11-6-12-19-32)35-30(38)28-23-25-16-9-10-17-27(25)40-28/h5,7-10,14-17,23,26H,3-4,6,11-13,18-22H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)
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| InChIKey |
PKFQNGKRUXAESL-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