General Information of the Compound
| Compound ID |
CP0496060
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| Compound Name |
(4R,9aR)-4,6-dimethyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene
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| Structure |
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| Formula |
C12H17N3
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| Molecular Weight |
203.289
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| Canonical SMILES |
C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12
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| InChI |
InChI=1S/C12H17N3/c1-8-3-4-10-5-11-7-13-6-9(2)15(11)12(10)14-8/h3-4,9,11,13H,5-7H2,1-2H3/t9-,11-/m1/s1
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| InChIKey |
YCGIBRPJFAKJEZ-MWLCHTKSSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2