General Information of the Compound
| Compound ID |
CP0577082
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-4,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
Cc1cc(=O)n2nc(Nc3c4CCCc4cc4CCCc34)nc2n1C
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| InChI |
InChI=1S/C19H21N5O/c1-11-9-16(25)24-19(23(11)2)21-18(22-24)20-17-14-7-3-5-12(14)10-13-6-4-8-15(13)17/h9-10H,3-8H2,1-2H3,(H,20,22)
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| InChIKey |
BRHJXINMQCMLBG-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