General Information of the Compound
| Compound ID |
CP0564474
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-piperidin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C22H26N6O
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| Molecular Weight |
390.491
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| Canonical SMILES |
O=c1cc([nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12)C1CCCNC1
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| InChI |
InChI=1S/C22H26N6O/c29-19-11-18(15-6-3-9-23-12-15)24-22-26-21(27-28(19)22)25-20-16-7-1-4-13(16)10-14-5-2-8-17(14)20/h10-11,15,23H,1-9,12H2,(H2,24,25,26,27)
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| InChIKey |
QKQNFEFIGZYEGH-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