General Information of the Compound
| Compound ID |
CP0546193
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| Compound Name |
3-[1-(propan-2-ylamino)isoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
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| Structure |
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| Formula |
C14H15N5O
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| Molecular Weight |
269.308
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| Canonical SMILES |
CC(C)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C14H15N5O/c1-8(2)15-12-10-6-4-3-5-9(10)7-11(16-12)13-17-14(20)19-18-13/h3-8H,1-2H3,(H,15,16)(H2,17,18,19,20)
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| InChIKey |
YWJWDUDJFCEAHB-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