General Information of the Compound
| Compound ID |
CP0476894
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| Compound Name |
(2R,4S)-4-(2,4-dichloro-3-methylphenoxy)-1-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-2-carboxylic acid
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| Structure |
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| Formula |
C26H30Cl2N2O4
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| Molecular Weight |
505.442
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)N1CCC(CC1)N1CC[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)c(C)c1Cl
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| InChI |
InChI=1S/C26H30Cl2N2O4/c1-16-3-5-18(6-4-16)25(31)29-12-9-19(10-13-29)30-14-11-20(15-22(30)26(32)33)34-23-8-7-21(27)17(2)24(23)28/h3-8,19-20,22H,9-15H2,1-2H3,(H,32,33)/t20-,22+/m0/s1
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| InChIKey |
UTVOOLLPUMDSJS-RBBKRZOGSA-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor