General Information of the Compound
| Compound ID |
CP0391384
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| Compound Name |
4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C21H29NO3S2
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| Molecular Weight |
407.601
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| Canonical SMILES |
Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=S)N2CCSCCCC(O)=O)c1
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| InChI |
InChI=1S/C21H29NO3S2/c1-16-4-2-5-17(14-16)15-19(23)9-7-18-8-10-20(26)22(18)11-13-27-12-3-6-21(24)25/h2,4-5,7,9,14,18-19,23H,3,6,8,10-13,15H2,1H3,(H,24,25)/b9-7+/t18-,19+/m0/s1
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| InChIKey |
SJTWUBFMJFGENT-HKBUGEINSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype