General Information of the Compound
| Compound ID |
CP0101474
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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-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C30H25F3N6O3
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| Molecular Weight |
574.563
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| Canonical SMILES |
Fc1cncc(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/C30H25F3N6O3/c31-20-12-22(17-35-16-20)39(27(41)24-5-6-26(40)38(24)25-11-18(15-34)8-10-36-25)30(9-7-19-3-1-2-4-23(19)30)28(42)37-21-13-29(32,33)14-21/h1-4,8,10-12,16-17,21,24H,5-7,9,13-14H2,(H,37,42)/t24-,30-/m0/s1
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| InChIKey |
IJJCGASGUHTUPL-NGQVCNFZSA-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