General Information of the Compound
| Compound ID |
CP0572737
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| Compound Name |
6-benzyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
Cc1[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn2c(=O)c1Cc1ccccc1
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| InChI |
InChI=1S/C25H25N5O/c1-15-21(13-16-7-3-2-4-8-16)23(31)30-25(26-15)28-24(29-30)27-22-19-11-5-9-17(19)14-18-10-6-12-20(18)22/h2-4,7-8,14H,5-6,9-13H2,1H3,(H2,26,27,28,29)
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| InChIKey |
JGKGVYLJTADBQZ-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