General Information of the Compound
| Compound ID |
CP0484379
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| Compound Name |
1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-inden-1-yl)-1,3-bis(4-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C26H19F6N7O4
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| Molecular Weight |
607.471
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N(C2CCc3cc(ccc23)C(=O)Nc2nnn[nH]2)c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C26H19F6N7O4/c27-25(28,29)42-18-7-3-16(4-8-18)33-24(41)39(17-5-9-19(10-6-17)43-26(30,31)32)21-12-2-14-13-15(1-11-20(14)21)22(40)34-23-35-37-38-36-23/h1,3-11,13,21H,2,12H2,(H,33,41)(H2,34,35,36,37,38,40)
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| InChIKey |
FRHZZRDKWWBNHL-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