General Information of the Compound
| Compound ID |
CP0150791
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(3,4-difluorophenyl)triazol-1-yl]acetamide
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| Structure |
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| Formula |
C17H16F2N6O2
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| Molecular Weight |
374.351
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| Canonical SMILES |
Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1
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| InChI |
InChI=1S/C17H16F2N6O2/c18-13-4-3-11(6-14(13)19)15-9-24(23-22-15)10-16(26)21-8-17(27)25-5-1-2-12(25)7-20/h3-4,6,9,12H,1-2,5,8,10H2,(H,21,26)/t12-/m0/s1
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| InChIKey |
PBCGPJOUIDJSHJ-LBPRGKRZSA-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