General Information of the Compound
| Compound ID |
CP0483442
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| Compound Name |
1-(4-chloro-3-(trifluoromethyl)phenyl)-2-cyano-3-(7-hydroxynaphthalen-1-yl)guanidine
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| Structure |
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| Formula |
C19H12ClF3N4O
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| Molecular Weight |
404.779
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| Canonical SMILES |
Oc1ccc2cccc(N=C(NC#N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
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| InChI |
InChI=1S/C19H12ClF3N4O/c20-16-7-5-12(8-15(16)19(21,22)23)26-18(25-10-24)27-17-3-1-2-11-4-6-13(28)9-14(11)17/h1-9,28H,(H2,25,26,27)
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| InChIKey |
LMRZGJYVONPAJF-UHFFFAOYSA-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