General Information of the Compound
| Compound ID |
CP0567971
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| Compound Name |
1-(3-chlorophenyl)sulfonyl-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
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| Structure |
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| Formula |
C23H20Cl3FN4O3S
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| Molecular Weight |
557.862
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| Canonical SMILES |
F\C(CNC(=O)NS(=O)(=O)c1cccc(Cl)c1)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C23H20Cl3FN4O3S/c24-16-4-2-5-18(9-16)35(33,34)30-23(32)28-12-21(27)19-6-1-3-14-11-29-31(22(14)19)13-15-7-8-17(25)10-20(15)26/h2,4-5,7-11H,1,3,6,12-13H2,(H2,28,30,32)/b21-19-
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| InChIKey |
GYOHZGSOPOKUQR-VZCXRCSSSA-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