General Information of the Compound
| Compound ID |
CP0403355
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| Compound Name |
US8722709, 16
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| Structure |
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| Formula |
C15H12ClN5O
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| Molecular Weight |
313.748
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| Canonical SMILES |
NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)21-13(6-8-19-21)10-5-7-18-14(9-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
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| InChIKey |
GBLSJZNOCXSAEW-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