General Information of the Compound
| Compound ID |
CP0429309
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| Compound Name |
CHEMBL3781192
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| Formula |
C18H16N4O2
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| Molecular Weight |
320.352
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| Canonical SMILES |
Cn1c(nc2ccccc12)C1=C(N)N(CC1=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C18H16N4O2/c1-21-14-5-3-2-4-13(14)20-18(21)16-15(24)10-22(17(16)19)11-6-8-12(23)9-7-11/h2-9,23H,10,19H2,1H3
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| InChIKey |
ALQKOSKMHRRLKM-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