General Information of the Compound
| Compound ID |
CP0335482
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| Compound Name |
N-[(2S,3R)-4-[[2-(2,2-dimethylpropyl)-6,6-dimethyl-1,4,5,7-tetrahydrobenzimidazol-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
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| Structure |
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| Formula |
C26H40N4O2
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| Molecular Weight |
440.632
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nc(CC(C)(C)C)[nH]c12
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| InChI |
InChI=1S/C26H40N4O2/c1-17(31)28-19(12-18-10-8-7-9-11-18)22(32)16-27-20-13-26(5,6)14-21-24(20)30-23(29-21)15-25(2,3)4/h7-11,19-20,22,27,32H,12-16H2,1-6H3,(H,28,31)(H,29,30)/t19-,20?,22+/m0/s1
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| InChIKey |
TXOQWIUPZLATHK-PWKISDLSSA-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