General Information of the Compound
| Compound ID |
CP0127377
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| Compound Name |
2-aminobenzimidazole with trans-stilbene, 9c
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| Structure |
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| Formula |
C26H25N5O3S
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| Molecular Weight |
487.585
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=C)nc2c1
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| InChI |
InChI=1S/C26H25N5O3S/c1-16(2)21-11-12-22(35-21)24(33)29-26-28-19-15-18(9-10-20(19)31(26)14-13-23(27)32)30(3)25(34)17-7-5-4-6-8-17/h4-12,15H,1,13-14H2,2-3H3,(H2,27,32)(H,28,29,33)
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| InChIKey |
GFQUVJBKDRURHN-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