General Information of the Compound
| Compound ID |
CP0568077
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| Compound Name |
[(6S,8S)-3-chloro-8-(3-chloro-5-fluorophenyl)-5,6,7,8-tetrahydro-1,7-naphthyridin-6-yl]methanol
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| Structure |
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| Formula |
C15H13Cl2FN2O
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| Molecular Weight |
327.186
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| Canonical SMILES |
OC[C@@H]1Cc2cc(Cl)cnc2[C@@H](N1)c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C15H13Cl2FN2O/c16-10-1-8(3-12(18)5-10)15-14-9(2-11(17)6-19-14)4-13(7-21)20-15/h1-3,5-6,13,15,20-21H,4,7H2/t13-,15-/m0/s1
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| InChIKey |
COPSQDXDOHCGPU-ZFWWWQNUSA-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