General Information of the Compound
| Compound ID |
CP0432122
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| Compound Name |
1-[(3aS,9bS)-7-hydroxy-3a-methyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrol-3-yl]ethanone
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| Structure |
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| Formula |
C14H17NO3
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| Molecular Weight |
247.294
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| Canonical SMILES |
CC(=O)N1CC[C@H]2c3ccc(O)cc3OC[C@@]12C
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| InChI |
InChI=1S/C14H17NO3/c1-9(16)15-6-5-12-11-4-3-10(17)7-13(11)18-8-14(12,15)2/h3-4,7,12,17H,5-6,8H2,1-2H3/t12-,14+/m0/s1
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| InChIKey |
BPPATMDHVHEJIF-GXTWGEPZSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1