General Information of the Compound
| Compound ID |
CP0488178
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| Compound Name |
6-bromo-9-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
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| Structure |
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| Formula |
C21H23BrN2O3S
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| Molecular Weight |
463.397
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1c2CCC(Cc2c2cc(Br)ccc12)N(C)C
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| InChI |
InChI=1S/C21H23BrN2O3S/c1-23(2)15-5-11-21-19(13-15)18-12-14(22)4-10-20(18)24(21)28(25,26)17-8-6-16(27-3)7-9-17/h4,6-10,12,15H,5,11,13H2,1-3H3
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| InChIKey |
TVWJLEDPDYVIAF-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