General Information of the Compound
| Compound ID |
CP0005402
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| Compound Name |
3-phenyl-2-[(1S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C20H17N7O
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| Molecular Weight |
371.404
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| Canonical SMILES |
C[C@H](Nc1ncnc2[nH]ccc12)c1nn2cccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C20H17N7O/c1-13(24-18-15-9-10-21-17(15)22-12-23-18)19-25-26-11-5-8-16(26)20(28)27(19)14-6-3-2-4-7-14/h2-13H,1H3,(H2,21,22,23,24)/t13-/m0/s1
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| InChIKey |
KPIDZQFTGXTMSO-ZDUSSCGKSA-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