General Information of the Compound
| Compound ID |
CP0548754
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| Compound Name |
2-(aminomethyl)-[6,8′-biquinolin]-4(1H)-one hydrochloride
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| Structure |
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| Formula |
C19H15N3O
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| Molecular Weight |
301.349
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| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)-c1cccc2cccnc12
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| InChI |
InChI=1S/C19H15N3O/c20-11-14-10-18(23)16-9-13(6-7-17(16)22-14)15-5-1-3-12-4-2-8-21-19(12)15/h1-10H,11,20H2,(H,22,23)
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| InChIKey |
XBVIAVACAFQBQU-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