General Information of the Compound
| Compound ID |
CP0540261
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| Compound Name |
1-(6-methoxy-9-quinolin-8-ylsulfonyl-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C25H27N3O3S
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| Molecular Weight |
449.576
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| Canonical SMILES |
COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C25H27N3O3S/c1-27(2)16-18-8-4-10-22-24(18)20-15-19(31-3)12-13-21(20)28(22)32(29,30)23-11-5-7-17-9-6-14-26-25(17)23/h5-7,9,11-15,18H,4,8,10,16H2,1-3H3
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| InChIKey |
WQEOAXFKZAGEGC-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