General Information of the Compound
| Compound ID |
CP0434001
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| Compound Name |
N-[(1Z)-1-benzylidene-3-[2-(dimethylamino)ethyl]-2-methylinden-5-yl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C31H30N2O2S
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| Molecular Weight |
494.66
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| Canonical SMILES |
CN(C)CCC1=C(C)\C(=C\c2ccccc2)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
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| InChI |
InChI=1S/C31H30N2O2S/c1-22-28(17-18-33(2)3)31-21-26(14-16-29(31)30(22)19-23-9-5-4-6-10-23)32-36(34,35)27-15-13-24-11-7-8-12-25(24)20-27/h4-16,19-21,32H,17-18H2,1-3H3/b30-19-
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| InChIKey |
KRAFDWDSBDERGJ-FSGOGVSDSA-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