General Information of the Compound
| Compound ID |
CP0543276
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| Compound Name |
(1R,3R)-1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
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| Structure |
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| Formula |
C17H14ClFN2O
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| Molecular Weight |
316.763
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| Canonical SMILES |
OC[C@H]1Cc2cc(ccc2[C@H](N1)c1cc(F)cc(Cl)c1)C#N
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| InChI |
InChI=1S/C17H14ClFN2O/c18-13-4-12(5-14(19)7-13)17-16-2-1-10(8-20)3-11(16)6-15(9-22)21-17/h1-5,7,15,17,21-22H,6,9H2/t15-,17-/m1/s1
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| InChIKey |
UOCQJHUNCIRIPU-NVXWUHKLSA-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT07642, Transient receptor potential cation channel subfamily M member 5
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8