General Information of the Compound
| Compound ID |
CP0372254
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| Compound Name |
(S)-4-(1-(1-(3-chlorobenzyl)-3-methyl-1H-indole-7-carboxamido)ethyl)benzoic acid
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| Structure |
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| Formula |
C26H23ClN2O3
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| Molecular Weight |
446.934
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| Canonical SMILES |
C[C@H](NC(=O)c1cccc2c(C)cn(Cc3cccc(Cl)c3)c12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H23ClN2O3/c1-16-14-29(15-18-5-3-6-21(27)13-18)24-22(16)7-4-8-23(24)25(30)28-17(2)19-9-11-20(12-10-19)26(31)32/h3-14,17H,15H2,1-2H3,(H,28,30)(H,31,32)/t17-/m0/s1
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| InChIKey |
XTRLBRLYAATAGR-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype