General Information of the Compound
| Compound ID |
CP0387117
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| Compound Name |
6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluorophenyl)methyl]-4-(4-methylpyrimidin-5-yl)benzimidazole
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| Structure |
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| Formula |
C24H22ClFN6
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| Molecular Weight |
448.933
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| Canonical SMILES |
Cc1ncncc1-c1cc(Cl)cc2n(Cc3ccc(F)cc3)c(nc12)N1CC2(CNC2)C1
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| InChI |
InChI=1S/C24H22ClFN6/c1-15-20(8-27-14-29-15)19-6-17(25)7-21-22(19)30-23(31-12-24(13-31)10-28-11-24)32(21)9-16-2-4-18(26)5-3-16/h2-8,14,28H,9-13H2,1H3
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| InChIKey |
AYHMANSGNZEDBM-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