General Information of the Compound
| Compound ID |
CP0522197
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| Compound Name |
2-[1-[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-5-fluoro-2-methylindol-3-yl]acetic acid
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| Structure |
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| Formula |
C30H29FN2O5
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| Molecular Weight |
516.569
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| Canonical SMILES |
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)n2c(C)c(CC(O)=O)c3cc(F)ccc23)Oc2ccccc12
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| InChI |
InChI=1S/C30H29FN2O5/c1-17-12-28(37-16-21-15-32(4)26-7-5-6-8-27(26)38-21)18(2)11-22(17)30(36)33-19(3)23(14-29(34)35)24-13-20(31)9-10-25(24)33/h5-13,21H,14-16H2,1-4H3,(H,34,35)/t21-/m0/s1
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| InChIKey |
WADCAGDHUSSNBY-NRFANRHFSA-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: PT02279, Prostacyclin receptor
Protein ID: PT02987, Prostaglandin D2 receptor