General Information of the Compound
| Compound ID |
CP0391386
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| Compound Name |
N-[(2S)-butan-2-yl]-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
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| Structure |
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| Formula |
C15H17N7O
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| Molecular Weight |
311.349
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| Canonical SMILES |
CC[C@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C15H17N7O/c1-4-9(2)16-15-18-12-10(8-21(3)19-12)14-17-13(20-22(14)15)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,18,19)/t9-/m0/s1
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| InChIKey |
LVFMVYMRLFXZPP-VIFPVBQESA-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3