General Information of the Compound
| Compound ID |
CP0504980
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| Compound Name |
1-(2-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)-3-(phenylsulfonyl)urea
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| Structure |
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| Formula |
C24H19FN4O3S
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| Molecular Weight |
462.506
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| Canonical SMILES |
Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1)C#N
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| InChI |
InChI=1S/C24H19FN4O3S/c25-18-9-7-17(8-10-18)23-20(21-14-16(15-26)6-11-22(21)28-23)12-13-27-24(30)29-33(31,32)19-4-2-1-3-5-19/h1-11,14,28H,12-13H2,(H2,27,29,30)
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| InChIKey |
DIFZTTKFHZJISC-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