General Information of the Compound
| Compound ID |
CP0387895
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| Compound Name |
2-[3-[[2,3-dimethyl-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 |
CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2C)Oc2ccccc12
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| InChI |
InChI=1S/C27H28N2O5/c1-17-18(2)24(33-16-21-15-29(3)23-9-4-5-10-25(23)34-21)12-11-22(17)27(32)28-20-8-6-7-19(13-20)14-26(30)31/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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| InChIKey |
HSPRFDKYYWATOH-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