General Information of the Compound
| Compound ID |
CP0950645
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| Compound Name |
1-(2,5-dimethoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
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| Structure |
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| Formula |
C19H20ClFN2O2
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| Molecular Weight |
362.832
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| Canonical SMILES |
COc1ccc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)c1.Cl
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| InChI |
InChI=1S/C19H19FN2O2.ClH/c1-23-12-4-6-17(24-2)15(10-12)18-19-13(7-8-21-18)14-9-11(20)3-5-16(14)22-19;/h3-6,9-10,18,21-22H,7-8H2,1-2H3;1H
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| InChIKey |
KGKBNSYYGXHYPC-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