General Information of the Compound
| Compound ID |
CP0579752
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(2-phenylethyl)-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 |
O=c1cc(CCc2ccccc2)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C25H25N5O/c31-22-15-19(13-12-16-6-2-1-3-7-16)26-25-28-24(29-30(22)25)27-23-20-10-4-8-17(20)14-18-9-5-11-21(18)23/h1-3,6-7,14-15H,4-5,8-13H2,(H2,26,27,28,29)
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| InChIKey |
TVJWPOKJMSCWKL-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