General Information of the Compound
| Compound ID |
CP0713504
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| Compound Name |
2-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)piperidine-1-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 |
C19H18F6N6O3
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| Molecular Weight |
492.38
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(O)(C(F)(F)F)C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H18F6N6O3/c1-10-12(9-26-31(10)16-27-14(32)13-3-2-6-30(13)28-16)15(33)29-7-4-11(5-8-29)17(34,18(20,21)22)19(23,24)25/h2-3,6,9,11,34H,4-5,7-8H2,1H3,(H,27,28,32)
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| InChIKey |
QRXQHWCLMSCGIN-UHFFFAOYSA-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