General Information of the Compound
| Compound ID |
CP0578037
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| Compound Name |
1-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]urea
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| Structure |
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| Formula |
C21H21Cl2N5O3S2
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| Molecular Weight |
526.471
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| Canonical SMILES |
Cc1ncc(s1)S(=O)(=O)NC(=O)NC\C=C1/CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C21H21Cl2N5O3S2/c1-13-25-11-19(32-13)33(30,31)27-21(29)24-8-7-14-3-2-4-15-10-26-28(20(14)15)12-16-5-6-17(22)9-18(16)23/h5-7,9-11H,2-4,8,12H2,1H3,(H2,24,27,29)/b14-7+
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| InChIKey |
QTIXZSCAKYBOJX-VGOFMYFVSA-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