General Information of the Compound
| Compound ID |
CP0468747
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| Compound Name |
[4-[3-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-(methylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C31H33N5O5S
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| Molecular Weight |
587.702
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| Canonical SMILES |
CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C31H33N5O5S/c1-32-30(37)24-5-4-6-28(19-24)42(39,40)41-27-13-9-22(10-14-27)29-20-33-21-36(29)26-15-17-35(18-16-26)31(38)23-7-11-25(12-8-23)34(2)3/h4-14,19-21,26H,15-18H2,1-3H3,(H,32,37)
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| InChIKey |
KBKTTYAXOXBRJA-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