General Information of the Compound
| Compound ID |
CP0969527
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| Compound Name |
2-(4-(3-benzyl-3,9-diazabicyclo[3.3.1]nonane-9-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 |
C25H27N7O2
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| Molecular Weight |
457.538
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCCC2CN(Cc2ccccc2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H27N7O2/c1-17-21(13-26-32(17)25-27-23(33)22-11-6-12-30(22)28-25)24(34)31-19-9-5-10-20(31)16-29(15-19)14-18-7-3-2-4-8-18/h2-4,6-8,11-13,19-20H,5,9-10,14-16H2,1H3,(H,27,28,33)
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| InChIKey |
KPYPMDKBHOXLFH-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