General Information of the Compound
| Compound ID |
CP0062900
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| Compound Name |
(1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine
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| Structure |
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| Formula |
C18H18N2
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| Molecular Weight |
262.356
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| Canonical SMILES |
CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
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| InChI |
InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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| InChIKey |
DAKGDRVNCPHAPY-KDOFPFPSSA-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor