General Information of the Compound
| Compound ID |
CP0039456
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| Compound Name |
2-aminobenzimidazole with trans-stilbene, 9f
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| Structure |
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| Formula |
C32H29N5O3S
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| Molecular Weight |
563.683
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(\C)=C\c3ccccc3)nc2c1
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| InChI |
InChI=1S/C32H29N5O3S/c1-21(19-22-9-5-3-6-10-22)27-15-16-28(41-27)30(39)35-32-34-25-20-24(13-14-26(25)37(32)18-17-29(33)38)36(2)31(40)23-11-7-4-8-12-23/h3-16,19-20H,17-18H2,1-2H3,(H2,33,38)(H,34,35,39)/b21-19+
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| InChIKey |
WNVUNLDMOCSVGW-XUTLUUPISA-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