General Information of the Compound
| Compound ID |
CP0403864
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| Compound Name |
4-[4-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzoic acid
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| Structure |
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| Formula |
C33H37N3O5
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| Molecular Weight |
555.675
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| Canonical SMILES |
OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C33H37N3O5/c37-32(38)26-8-12-30(13-9-26)41-29-10-6-24(7-11-29)22-34-18-14-28(15-19-34)36-31(25-4-2-1-3-5-25)23-35(33(36)39)27-16-20-40-21-17-27/h1-13,27-28,31H,14-23H2,(H,37,38)/t31-/m0/s1
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| InChIKey |
RORLXLUBFWDMQI-HKBQPEDESA-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2