General Information of the Compound
| Compound ID |
CP0578503
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| Compound Name |
[(1S,3S)-6-chloro-1-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydro-2,7-naphthyridin-3-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)ncc2[C@@H](N1)c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C15H13Cl2FN2O/c16-10-1-9(2-11(18)5-10)15-13-6-19-14(17)4-8(13)3-12(7-21)20-15/h1-2,4-6,12,15,20-21H,3,7H2/t12-,15-/m0/s1
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| InChIKey |
WEWHKFJGQQIEMD-WFASDCNBSA-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