General Information of the Compound
| Compound ID |
CP0566890
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| Compound Name |
CHEMBL3781649
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| Formula |
C17H13ClN4O
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| Molecular Weight |
324.771
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| Canonical SMILES |
NC1=C(C(=O)CN1c1cccc(Cl)c1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C17H13ClN4O/c18-10-4-3-5-11(8-10)22-9-14(23)15(16(22)19)17-20-12-6-1-2-7-13(12)21-17/h1-8H,9,19H2,(H,20,21)
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| InChIKey |
LSIURMXHFSOEPC-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