General Information of the Compound
| Compound ID |
CP0498438
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| Compound Name |
1-(6-methoxy-9-naphthalen-1-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)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H28N2O3S/c1-27(2)17-19-10-6-12-24-26(19)22-16-20(31-3)14-15-23(22)28(24)32(29,30)25-13-7-9-18-8-4-5-11-21(18)25/h4-5,7-9,11,13-16,19H,6,10,12,17H2,1-3H3
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| InChIKey |
SAHVYMKUXSVQNV-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