General Information of the Compound
| Compound ID |
CP0374496
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| Compound Name |
6-tert-Butyl-2-[(S)-4-(3-chloro-pyridin-2-yl)-2-methyl-piperazin-1-yl]-1H-benzoimidazole
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| Structure |
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| Formula |
C21H26ClN5
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| Molecular Weight |
383.927
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| Canonical SMILES |
C[C@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1Cl
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| InChI |
InChI=1S/C21H26ClN5/c1-14-13-26(19-16(22)6-5-9-23-19)10-11-27(14)20-24-17-8-7-15(21(2,3)4)12-18(17)25-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,24,25)/t14-/m0/s1
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| InChIKey |
ABWOTHSYSVRTCD-AWEZNQCLSA-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