General Information of the Compound
| Compound ID |
CP0484968
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| Compound Name |
CHEMBL1829610
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
O=C(CNC(=O)c1ccccc1)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H29N3O4/c29-24(13-26-25(30)18-4-2-1-3-5-18)27-20-14-28(15-20)21-9-6-17(7-10-21)19-8-11-22-23(12-19)32-16-31-22/h1-5,8,11-12,17,20-21H,6-7,9-10,13-16H2,(H,26,30)(H,27,29)/t17-,21-
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| InChIKey |
VLGQQGBAZGCDNJ-CYWCHRQTSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2