General Information of the Compound
| Compound ID |
CP0530802
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| Compound Name |
1-(2-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)-3-(4-fluorophenylsulfonyl)urea
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| Structure |
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| Formula |
C24H18F2N4O3S
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| Molecular Weight |
480.496
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| Canonical SMILES |
Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCNC(=O)NS(=O)(=O)c1ccc(F)cc1)C#N
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| InChI |
InChI=1S/C24H18F2N4O3S/c25-17-4-2-16(3-5-17)23-20(21-13-15(14-27)1-10-22(21)29-23)11-12-28-24(31)30-34(32,33)19-8-6-18(26)7-9-19/h1-10,13,29H,11-12H2,(H2,28,30,31)
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| InChIKey |
MRJFDMXTGXVYKU-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