General Information of the Compound
| Compound ID |
CP0768972
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)-7-fluoropyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C24H22FN7O2
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| Molecular Weight |
459.485
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cnn1-c1nn2c(F)ccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H22FN7O2/c1-14-17(13-27-31(14)24-28-22(33)20-6-7-21(25)32(20)29-24)23(34)30-10-8-15(9-11-30)18-12-26-19-5-3-2-4-16(18)19/h2-7,12-13,15,26H,8-11H2,1H3,(H,28,29,33)
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| InChIKey |
OFSFKKVNWINCMB-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