General Information of the Compound
| Compound ID |
CP0964669
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| Compound Name |
(S)-2-(4-(7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-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 |
C17H17F2N7O2
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| Molecular Weight |
389.366
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCN2CC(F)(F)C[C@H]2C1
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| InChI |
InChI=1S/C17H17F2N7O2/c18-17(19)6-12-9-23(4-5-24(12)10-17)15(28)11-7-20-26(8-11)16-21-14(27)13-2-1-3-25(13)22-16/h1-3,7-8,12H,4-6,9-10H2,(H,21,22,27)/t12-/m0/s1
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| InChIKey |
BFFWVPHHXBMYOR-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