General Information of the Compound
| Compound ID |
CP0726174
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| Compound Name |
2-(4-(4-(benzo[d]thiazol-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 |
C23H21N7O2S
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| Molecular Weight |
459.535
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H21N7O2S/c1-14-16(13-24-30(14)23-26-20(31)18-6-4-10-29(18)27-23)22(32)28-11-8-15(9-12-28)21-25-17-5-2-3-7-19(17)33-21/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,26,27,31)
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| InChIKey |
RRMGTHVLKNOHJI-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