General Information of the Compound
| Compound ID |
CP0433103
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| Compound Name |
(1S)-N-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C29H31FN2O2
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| Molecular Weight |
458.577
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| Canonical SMILES |
COc1ccc2[C@H](CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12
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| InChI |
InChI=1S/C29H31FN2O2/c1-33-28-17-15-24-25(29(28)34-2)14-16-26(24)31-18-6-5-7-20-19-32(22-12-10-21(30)11-13-22)27-9-4-3-8-23(20)27/h3-4,8-13,15,17,19,26,31H,5-7,14,16,18H2,1-2H3/t26-/m0/s1
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| InChIKey |
XXHIDGAREGGPBO-SANMLTNESA-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