General Information of the Compound
| Compound ID |
CP0346830
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| Compound Name |
(2S)-1-(4-cyanopyridin-2-yl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H26F3N5O3
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| Molecular Weight |
573.575
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| Canonical SMILES |
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1
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| InChI |
InChI=1S/C31H26F3N5O3/c32-21-5-3-6-23(15-21)39(28(41)25-8-9-27(40)38(25)26-14-19(18-35)11-13-36-26)31(12-10-20-4-1-2-7-24(20)31)29(42)37-22-16-30(33,34)17-22/h1-7,11,13-15,22,25H,8-10,12,16-17H2,(H,37,42)/t25-,31-/m0/s1
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| InChIKey |
ITFBHXRJPOWXEZ-FKAPRUDGSA-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