General Information of the Compound
| Compound ID |
CP0485056
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| Compound Name |
N-[2-[[(2R)-1-oxo-3-phenyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C35H38N4O3S
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| Molecular Weight |
594.781
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| Canonical SMILES |
O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C35H38N4O3S/c40-32(36-17-10-20-39-18-8-9-19-39)29(21-25-11-2-1-3-12-25)37-34(42)35(23-27-14-4-5-15-28(27)24-35)38-33(41)31-22-26-13-6-7-16-30(26)43-31/h1-7,11-16,22,29H,8-10,17-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1
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| InChIKey |
AVFCWIYMFNPMIP-GDLZYMKVSA-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