General Information of the Compound
| Compound ID |
CP0768925
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| Compound Name |
2-(4-(4-(benzo[d]thiazol-2-yl)piperidine-1-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 |
C22H19N7O2S
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| Molecular Weight |
445.508
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(c2nc3ccccc3s2)CC1
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| InChI |
InChI=1S/C22H19N7O2S/c30-19-17-5-3-9-28(17)26-22(25-19)29-13-15(12-23-29)21(31)27-10-7-14(8-11-27)20-24-16-4-1-2-6-18(16)32-20/h1-6,9,12-14H,7-8,10-11H2,(H,25,26,30)
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| InChIKey |
RXFWLOQWFKKATH-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