General Information of the Compound
| Compound ID |
CP0410994
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| Compound Name |
6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpyrimidin-5-yl)benzimidazole
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| Structure |
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| Formula |
C26H26ClFN6
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| Molecular Weight |
476.987
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| Canonical SMILES |
Cc1cc(Cn2c(nc3c(cc(Cl)cc23)-c2cncnc2C)N2CC3(CNC3)C2)cc(C)c1F
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| InChI |
InChI=1S/C26H26ClFN6/c1-15-4-18(5-16(2)23(15)28)9-34-22-7-19(27)6-20(21-8-29-14-31-17(21)3)24(22)32-25(34)33-12-26(13-33)10-30-11-26/h4-8,14,30H,9-13H2,1-3H3
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| InChIKey |
VAKAQXLRQWXXOB-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