General Information of the Compound
| Compound ID |
CP0955176
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| Compound Name |
2-(5-methyl-4-(4-(pyrrolidin-1-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 |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(N3CCCC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H25N7O2/c1-14-16(19(29)25-11-6-15(7-12-25)24-8-2-3-9-24)13-21-27(14)20-22-18(28)17-5-4-10-26(17)23-20/h4-5,10,13,15H,2-3,6-9,11-12H2,1H3,(H,22,23,28)
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| InChIKey |
AEHAFJHYJSQMKP-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