General Information of the Compound
| Compound ID |
CP0576884
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[(4-methylmorpholin-3-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
CN1CCOCC1Cc1cc(=O)n2nc(Nc3c4CCCc4cc4CCCc34)nc2[nH]1
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| InChI |
InChI=1S/C23H28N6O2/c1-28-8-9-31-13-17(28)11-16-12-20(30)29-23(24-16)26-22(27-29)25-21-18-6-2-4-14(18)10-15-5-3-7-19(15)21/h10,12,17H,2-9,11,13H2,1H3,(H2,24,25,26,27)
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| InChIKey |
PYXHJTHUQLVHJV-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