General Information of the Compound
| Compound ID |
CP0380709
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| Compound Name |
2-[4-chloro-3-[[2-chloro-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 |
C25H22Cl2N2O5
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| Molecular Weight |
501.366
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| Canonical SMILES |
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(Cl)c2)Oc2ccccc12
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| InChI |
InChI=1S/C25H22Cl2N2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(20(27)12-16)25(32)28-21-10-15(11-24(30)31)6-9-19(21)26/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1
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| InChIKey |
UQHKLJCYYLWRGF-KRWDZBQOSA-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
Protein ID: PT04759, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor