General Information of the Compound
| Compound ID |
CP0248665
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| Compound Name |
(2S)-1-(4-cyanopyridin-2-yl)-N-[(1S)-1-(cyclohexylcarbamoyl)-2,3-dihydroinden-1-yl]-N-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C33H32FN5O3
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| Molecular Weight |
565.649
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| Canonical SMILES |
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C33H32FN5O3/c34-24-8-6-11-26(20-24)39(31(41)28-13-14-30(40)38(28)29-19-22(21-35)16-18-36-29)33(17-15-23-7-4-5-12-27(23)33)32(42)37-25-9-2-1-3-10-25/h4-8,11-12,16,18-20,25,28H,1-3,9-10,13-15,17H2,(H,37,42)/t28-,33-/m0/s1
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| InChIKey |
CHPYSNAUZNRASK-UVMMSNCQSA-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