General Information of the Compound
| Compound ID |
CP0385304
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| Compound Name |
1-[1-(4-tert-butylphenyl)piperidin-4-yl]-5,6-dichloro-N,N-dimethyl-2-(propan-2-ylamino)benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C28H37Cl2N5O
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| Molecular Weight |
530.544
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| Canonical SMILES |
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C28H37Cl2N5O/c1-17(2)31-27-32-25-22(16-21(29)24(30)23(25)26(36)33(6)7)35(27)20-12-14-34(15-13-20)19-10-8-18(9-11-19)28(3,4)5/h8-11,16-17,20H,12-15H2,1-7H3,(H,31,32)
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| InChIKey |
GKUZMFYPZGGUIN-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