General Information of the Compound
| Compound ID |
CP0143555
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| Compound Name |
2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C30H27BrN4O3
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| Molecular Weight |
571.475
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| Canonical SMILES |
C[C@@H](C1CCCCC1)n1c(nc2cc(ccc12)C(=O)Nc1ccc(cc1)C#N)-c1cc2OCOc2cc1Br
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| InChI |
InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1
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| InChIKey |
FJAOGFGHTPYADT-SFHVURJKSA-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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