General Information of the Compound
| Compound ID |
CP0310219
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| Compound Name |
2-aminobenzimidazole with trans-stilbene, 8i
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| Structure |
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| Formula |
C32H29N5O4S
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| Molecular Weight |
579.682
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| Canonical SMILES |
COc1cccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C32H29N5O4S/c1-36(31(40)22-8-4-3-5-9-22)23-12-15-27-26(20-23)34-32(37(27)18-17-29(33)38)35-30(39)28-16-14-25(42-28)13-11-21-7-6-10-24(19-21)41-2/h3-16,19-20H,17-18H2,1-2H3,(H2,33,38)(H,34,35,39)/b13-11+
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| InChIKey |
XNWNYOMMFGHUSP-ACCUITESSA-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