General Information of the Compound
| Compound ID |
CP0738370
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| Compound Name |
(S)-2-(4-(7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-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 |
C18H19F2N7O2
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| Molecular Weight |
403.393
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| Canonical SMILES |
Cc1c(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H19F2N7O2/c1-11-13(16(29)24-5-6-25-10-18(19,20)7-12(25)9-24)8-21-27(11)17-22-15(28)14-3-2-4-26(14)23-17/h2-4,8,12H,5-7,9-10H2,1H3,(H,22,23,28)/t12-/m0/s1
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| InChIKey |
VBPKOOKAWUEDQI-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