General Information of the Compound
| Compound ID |
CP0464120
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| Compound Name |
N-[2-(4,7-dihydroxynaphthalen-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C20H16F3NO4
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| Molecular Weight |
391.345
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| Canonical SMILES |
Oc1ccc2c(O)ccc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
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| InChI |
InChI=1S/C20H16F3NO4/c21-20(22,23)28-15-5-1-13(2-6-15)19(27)24-10-9-12-3-8-18(26)16-7-4-14(25)11-17(12)16/h1-8,11,25-26H,9-10H2,(H,24,27)
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| InChIKey |
LXNUJHCVLGLBLV-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