General Information of the Compound
| Compound ID |
CP0567826
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| Compound Name |
[4-[3-[1-(4-nitrobenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-(cyclopropylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C31H29N5O7S
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| Molecular Weight |
615.668
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1
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| InChI |
InChI=1S/C31H29N5O7S/c37-30(33-24-8-9-24)23-2-1-3-28(18-23)44(41,42)43-27-12-6-21(7-13-27)29-19-32-20-35(29)25-14-16-34(17-15-25)31(38)22-4-10-26(11-5-22)36(39)40/h1-7,10-13,18-20,24-25H,8-9,14-17H2,(H,33,37)
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| InChIKey |
RNQZIJZHOOYGBQ-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