General Information of the Compound
| Compound ID |
CP0772460
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| Compound Name |
(R)-2-(4-(4-(cyclobutylmethyl)-3-methylpiperazine-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 |
C21H27N7O2
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| Molecular Weight |
409.494
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(CC3CCC3)[C@H](C)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H27N7O2/c1-14-12-26(10-9-25(14)13-16-5-3-6-16)20(30)17-11-22-28(15(17)2)21-23-19(29)18-7-4-8-27(18)24-21/h4,7-8,11,14,16H,3,5-6,9-10,12-13H2,1-2H3,(H,23,24,29)/t14-/m1/s1
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| InChIKey |
IUEQYINPISPONW-CQSZACIVSA-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