General Information of the Compound
| Compound ID |
CP0375591
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| Compound Name |
2-[3-[ethyl-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C27H28N2O5
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| Molecular Weight |
460.53
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| Canonical SMILES |
CCN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(O)=O)c1
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| InChI |
InChI=1S/C27H28N2O5/c1-3-29(21-8-6-7-19(15-21)16-26(30)31)27(32)20-11-13-22(14-12-20)33-18-23-17-28(2)24-9-4-5-10-25(24)34-23/h4-15,23H,3,16-18H2,1-2H3,(H,30,31)/t23-/m0/s1
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| InChIKey |
BJVBKRYJOXRBAD-QHCPKHFHSA-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
Protein ID: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype