General Information of the Compound
| Compound ID |
CP0243832
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| Compound Name |
US8716285, 53
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| Structure |
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| Formula |
C19H18N6O2
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| Molecular Weight |
362.393
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| Canonical SMILES |
ONC(=O)c1ccc2NCC(Cc2c1)Nc1nccc(n1)-c1cccnc1
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| InChI |
InChI=1S/C19H18N6O2/c26-18(25-27)12-3-4-16-14(8-12)9-15(11-22-16)23-19-21-7-5-17(24-19)13-2-1-6-20-10-13/h1-8,10,15,22,27H,9,11H2,(H,25,26)(H,21,23,24)
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| InChIKey |
YWYZSTJJOZEEKF-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