General Information of the Compound
| Compound ID |
CP0924403
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| Compound Name |
4-(2-(1-(5-fluoro-2-oxo-1-p-tolylindolin-3-ylidene)ethyl)hydrazinecarbonothioyl)benzoic acid
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| Formula |
C25H20FN3O3S
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| Molecular Weight |
461.518
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| Canonical SMILES |
C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21
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| InChI |
InChI=1S/C25H20FN3O3S/c1-14-3-10-19(11-4-14)29-21-12-9-18(26)13-20(21)22(24(29)30)15(2)27-28-23(33)16-5-7-17(8-6-16)25(31)32/h3-13,27H,1-2H3,(H,28,33)(H,31,32)/b22-15-
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| InChIKey |
KVPIGWRUSNHUFQ-JCMHNJIXSA-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