General Information of the Compound
| Compound ID |
CP0039460
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| Compound Name |
2-aminobenzimidazole with trans-stilbene, 8q
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| Structure |
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| Formula |
C31H28N6O3S
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| Molecular Weight |
564.671
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(N)cc4)s3)nc2c1
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| InChI |
InChI=1S/C31H28N6O3S/c1-36(30(40)21-5-3-2-4-6-21)23-12-15-26-25(19-23)34-31(37(26)18-17-28(33)38)35-29(39)27-16-14-24(41-27)13-9-20-7-10-22(32)11-8-20/h2-16,19H,17-18,32H2,1H3,(H2,33,38)(H,34,35,39)/b13-9+
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| InChIKey |
TYYQKQJBZPGYOQ-UKTHLTGXSA-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