General Information of the Compound
| Compound ID |
CP0552261
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| Compound Name |
2-[[2-[(6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]-1-(4,4,4-trifluorobutyl)benzimidazol-5-yl]methyl]guanidine
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| Formula |
C24H24F4N6O
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| Molecular Weight |
488.489
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| Canonical SMILES |
NC(=N)NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
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| InChI |
InChI=1S/C24H24F4N6O/c25-15-3-4-16-19(11-15)34(21(35)23(16)7-8-23)13-20-32-17-10-14(12-31-22(29)30)2-5-18(17)33(20)9-1-6-24(26,27)28/h2-5,10-11H,1,6-9,12-13H2,(H4,29,30,31)
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| InChIKey |
OLKLYCUIXLWVDJ-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