General Information of the Compound
| Compound ID |
CP0539654
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| Compound Name |
N-[1-[[(2R)-1-oxo-3-phenyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C32H40N4O3S
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| Molecular Weight |
560.764
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| Canonical SMILES |
O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C32H40N4O3S/c37-29(33-18-11-21-36-19-9-10-20-36)26(22-24-12-3-1-4-13-24)34-31(39)32(16-7-2-8-17-32)35-30(38)28-23-25-14-5-6-15-27(25)40-28/h1,3-6,12-15,23,26H,2,7-11,16-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1
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| InChIKey |
XLUWKRGQEQCIRX-AREMUKBSSA-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