General Information of the Compound
| Compound ID |
CP0557691
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| Compound Name |
2-[(6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]-1-(4,4,4-trifluorobutyl)benzimidazole-5-carboxamide
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| Formula |
C23H20F4N4O2
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| Molecular Weight |
460.431
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| Canonical SMILES |
NC(=O)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
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| InChI |
InChI=1S/C23H20F4N4O2/c24-14-3-4-15-18(11-14)31(21(33)22(15)7-8-22)12-19-29-16-10-13(20(28)32)2-5-17(16)30(19)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12H2,(H2,28,32)
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| InChIKey |
NZIWJSDISVLVPD-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