General Information of the Compound
| Compound ID |
CP0475730
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| Compound Name |
(3R)-1-[(3S)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]piperidine-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 |
OC(=O)[C@@H]1CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21
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| InChI |
InChI=1S/C25H29NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-8,10,21-22H,5,9,11-17H2,(H,27,28)/t21-,22?,25+/m1/s1
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| InChIKey |
GJQONOYIKURBSD-IYRGYZHQSA-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