General Information of the Compound
| Compound ID |
CP0959379
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| Compound Name |
(R)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(3-phenylpyrrolidine-1-carbonyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
CCCCc1[nH]c(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C28H32N2O5/c1-4-5-12-20-23(24-21(34-2)13-9-14-22(24)35-3)26(31)25(27(32)29-20)28(33)30-16-15-19(17-30)18-10-7-6-8-11-18/h6-11,13-14,19H,4-5,12,15-17H2,1-3H3,(H2,29,31,32)/t19-/m0/s1
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| InChIKey |
BCINEYMTISNZFK-IBGZPJMESA-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: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor