General Information of the Compound
| Compound ID |
CP0525562
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| Compound Name |
4-[4-[1-[3-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C46H57F3N2O10
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| Molecular Weight |
854.96
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| Canonical SMILES |
NCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C46H57F3N2O10/c47-46(48,49)41-8-5-35(6-9-41)38-7-10-42-39(31-38)32-40(45(53)54)33-43(42)37-3-1-34(2-4-37)36-11-15-51(16-12-36)44(52)13-17-55-19-21-57-23-25-59-27-29-61-30-28-60-26-24-58-22-20-56-18-14-50/h1-10,31-33,36H,11-30,50H2,(H,53,54)
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| InChIKey |
RFTPQFLCCGXKCA-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: PT05244, P2Y purinoceptor 14
Protein ID: PT05434, P2Y purinoceptor 14