General Information of the Compound
| Compound ID |
CP0354312
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| Compound Name |
[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl 3-[4-[2-(2-hydroxy-5-prop-2-ynoxycarbonylanilino)-2-oxoethoxy]phenyl]adamantane-1-carboxylate
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| Structure |
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| Formula |
C38H34F3N3O7
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| Molecular Weight |
701.698
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| Canonical SMILES |
Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)OCc1ccc(cc1)C1(N=N1)C(F)(F)F)C2)C(=O)OCC#C
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| InChI |
InChI=1S/C38H34F3N3O7/c1-2-13-49-33(47)26-5-12-31(45)30(15-26)42-32(46)21-50-29-10-8-27(9-11-29)35-16-24-14-25(17-35)19-36(18-24,22-35)34(48)51-20-23-3-6-28(7-4-23)37(43-44-37)38(39,40)41/h1,3-12,15,24-25,45H,13-14,16-22H2,(H,42,46)
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| InChIKey |
SGLAFTPYZYIWFY-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