General Information of the Compound
| Compound ID |
CP0455600
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| Compound Name |
(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
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| Structure |
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| Formula |
C16H19NO
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| Molecular Weight |
241.334
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| Canonical SMILES |
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N
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| InChI |
InChI=1S/C16H19NO/c1-3-14-13-9-8-11-6-4-5-7-12(11)15(13)18-10-16(14,2)17/h4-9,14H,3,10,17H2,1-2H3/t14-,16+/m0/s1
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| InChIKey |
RBHBTBBWGMVKHC-GOEBONIOSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1