General Information of the Compound
| Compound ID |
CP0468752
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| Compound Name |
[4-[3-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-cyanobenzenesulfonate
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| Structure |
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| Formula |
C30H29N5O4S
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| Molecular Weight |
555.66
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C30H29N5O4S/c1-33(2)25-10-6-24(7-11-25)30(36)34-16-14-26(15-17-34)35-21-32-20-29(35)23-8-12-27(13-9-23)39-40(37,38)28-5-3-4-22(18-28)19-31/h3-13,18,20-21,26H,14-17H2,1-2H3
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| InChIKey |
SIYZSCATOQQNJO-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