General Information of the Compound
| Compound ID |
CP0574267
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| Compound Name |
1-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]urea
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| Structure |
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| Formula |
C22H23Cl2N5O3S2
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| Molecular Weight |
540.498
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| Canonical SMILES |
Cc1nc(C)c(s1)S(=O)(=O)NC(=O)NC\C=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C22H23Cl2N5O3S2/c1-13-21(33-14(2)27-13)34(31,32)28-22(30)25-9-8-15-4-3-5-16-11-26-29(20(15)16)12-17-6-7-18(23)10-19(17)24/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,25,28,30)/b15-8+
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| InChIKey |
SAJKZGWBQROAKJ-OVCLIPMQSA-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