General Information of the Compound
| Compound ID |
CP0579860
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| Compound Name |
5-[(2-fluorophenyl)methyl]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C24H22FN5O
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| Molecular Weight |
415.472
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| Canonical SMILES |
Fc1ccccc1Cc1cc(=O)n2nc(Nc3c4CCCc4cc4CCCc34)nc2[nH]1
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| InChI |
InChI=1S/C24H22FN5O/c25-20-10-2-1-5-16(20)12-17-13-21(31)30-24(26-17)28-23(29-30)27-22-18-8-3-6-14(18)11-15-7-4-9-19(15)22/h1-2,5,10-11,13H,3-4,6-9,12H2,(H2,26,27,28,29)
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| InChIKey |
DQKOGWMCAAXGOC-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