General Information of the Compound
| Compound ID |
CP0750105
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| Compound Name |
2-(4-((3aS,6aR)-4,4-difluorooctahydrocyclopenta[c]pyrrole-2-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H18F2N6O2
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| Molecular Weight |
388.378
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| Canonical SMILES |
Cc1c(C(=O)N2C[C@@H]3CCC(F)(F)[C@@H]3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H18F2N6O2/c1-10-12(16(28)24-8-11-4-5-18(19,20)13(11)9-24)7-21-26(10)17-22-15(27)14-3-2-6-25(14)23-17/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,22,23,27)/t11-,13+/m0/s1
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| InChIKey |
UYOUNPAOWQWFTA-WCQYABFASA-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