General Information of the Compound
| Compound ID |
CP0493859
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| Compound Name |
3-methyl-1-[(3S)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H29NO2
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| Molecular Weight |
375.512
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| Canonical SMILES |
CC1(CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O
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| InChI |
InChI=1S/C25H29NO2/c1-24(23(27)28)12-13-26(17-24)21-10-11-25(16-21)15-20-8-3-2-6-18(20)14-19-7-4-5-9-22(19)25/h2-9,21H,10-17H2,1H3,(H,27,28)/t21?,24?,25-/m0/s1
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| InChIKey |
WVFQWSQTENHWCH-MTQWGCILSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor