General Information of the Compound
| Compound ID |
CP0520522
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| Compound Name |
1-(6-methoxy-9-naphthalen-2-ylsulfonyl-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C26H28N2O3S
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| Molecular Weight |
448.588
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| Canonical SMILES |
COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H28N2O3S/c1-27(2)17-20-9-6-10-25-26(20)23-16-21(31-3)12-14-24(23)28(25)32(29,30)22-13-11-18-7-4-5-8-19(18)15-22/h4-5,7-8,11-16,20H,6,9-10,17H2,1-3H3
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| InChIKey |
REGOWQYAGCTQPJ-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