General Information of the Compound
| Compound ID |
CP0408083
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| Compound Name |
3-Cyano-4-hydroxy-benzoic acid [1-(4-trifluoromethyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
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| Structure |
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| Formula |
C25H17F3N4O2
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| Molecular Weight |
462.431
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| Canonical SMILES |
Oc1ccc(cc1C#N)C(=O)N\N=C\c1cccc2n(Cc3ccc(cc3)C(F)(F)F)ccc12
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| InChI |
InChI=1S/C25H17F3N4O2/c26-25(27,28)20-7-4-16(5-8-20)15-32-11-10-21-18(2-1-3-22(21)32)14-30-31-24(34)17-6-9-23(33)19(12-17)13-29/h1-12,14,33H,15H2,(H,31,34)/b30-14+
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| InChIKey |
HFPOQOQBQMPPBL-AMVVHIIESA-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