General Information of the Compound
| Compound ID |
CP0002077
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| Compound Name |
3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C19H16N8O
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| Molecular Weight |
372.392
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| Canonical SMILES |
C[C@H](Nc1ncnc2[nH]cnc12)c1nn2cccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C19H16N8O/c1-12(24-17-15-16(21-10-20-15)22-11-23-17)18-25-26-9-5-8-14(26)19(28)27(18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,20,21,22,23,24)/t12-/m0/s1
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| InChIKey |
DHKGAONLXNGQLB-LBPRGKRZSA-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