General Information of the Compound
| Compound ID |
CP0090965
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| Compound Name |
N-[5-(anilinomethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H27N5O3S
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| Molecular Weight |
501.612
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| Canonical SMILES |
Cc1ncc(o1)-c1ccc(s1)C(=O)Nc1nc2cc(CNc3ccccc3)ccc2n1CC(C)(C)O
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| InChI |
InChI=1S/C27H27N5O3S/c1-17-28-15-22(35-17)23-11-12-24(36-23)25(33)31-26-30-20-13-18(14-29-19-7-5-4-6-8-19)9-10-21(20)32(26)16-27(2,3)34/h4-13,15,29,34H,14,16H2,1-3H3,(H,30,31,33)
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| InChIKey |
BGMRBNOCQJRDMT-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