General Information of the Compound
| Compound ID |
CP0228913
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| Compound Name |
2-[4-(4-Fluoro-phenyl)-butyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C22H25FN2
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| Molecular Weight |
336.454
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| Canonical SMILES |
Cn1c2CCN(CCCCc3ccc(F)cc3)Cc2c2ccccc12
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| InChI |
InChI=1S/C22H25FN2/c1-24-21-8-3-2-7-19(21)20-16-25(15-13-22(20)24)14-5-4-6-17-9-11-18(23)12-10-17/h2-3,7-12H,4-6,13-16H2,1H3
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| InChIKey |
XAAOJZOWHOQYAJ-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