General Information of the Compound
| Compound ID |
CP0002079
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| Compound Name |
2-[(1S)-1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C17H17N9O
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| Molecular Weight |
363.385
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(N)n1)c1nn2cccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C17H17N9O/c1-10(20-17-22-15(18)21-16(19)23-17)13-24-25-9-5-8-12(25)14(27)26(13)11-6-3-2-4-7-11/h2-10H,1H3,(H5,18,19,20,21,22,23)/t10-/m0/s1
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| InChIKey |
DFNHVHOQRFJTRN-JTQLQIEISA-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