General Information of the Compound
| Compound ID |
CP0553634
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| Compound Name |
9-(2-chlorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
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| Structure |
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| Formula |
C21H23ClN2O3S
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| Molecular Weight |
418.946
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| Canonical SMILES |
COc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C21H23ClN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3
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| InChIKey |
RMMBNMYQECMRRI-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