General Information of the Compound
| Compound ID |
CP0485272
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| Compound Name |
2,2-dimethyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C19H18N4O
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| Molecular Weight |
318.38
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| Canonical SMILES |
Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(C)(C)Cc2c1
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| InChI |
InChI=1S/C19H18N4O/c1-12-17(21-22-23(12)15-5-4-8-20-11-15)13-6-7-16-14(9-13)10-19(2,3)18(16)24/h4-9,11H,10H2,1-3H3
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| InChIKey |
BZIBIEYKXKMKQG-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