General Information of the Compound
| Compound ID |
CP0863194
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| Compound Name |
3-p-Tolyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid (4-{[methyl-(tetrahydro-pyran-4-yl)-amino]-methyl}-phenyl)-amide
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| Structure |
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| Formula |
C32H36N2O2
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| Molecular Weight |
480.652
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| Canonical SMILES |
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1
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| InChI |
InChI=1S/C32H36N2O2/c1-23-6-10-26(11-7-23)27-13-12-25-4-3-5-28(21-29(25)20-27)32(35)33-30-14-8-24(9-15-30)22-34(2)31-16-18-36-19-17-31/h6-15,20-21,31H,3-5,16-19,22H2,1-2H3,(H,33,35)
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| InChIKey |
XMMOSVPLCMKONF-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
Protein ID: PT01021, C-C chemokine receptor type 2
Cell-based Assay