General Information of the Compound
| Compound ID |
CP0410320
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| Compound Name |
N-benzyl-4-[[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-yl]carbamoylamino]piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H26N10O3
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| Molecular Weight |
514.55
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| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccccc1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C25H26N10O3/c1-33-15-18-20(31-33)29-23(35-22(18)28-21(32-35)19-8-5-13-38-19)30-24(36)27-17-9-11-34(12-10-17)25(37)26-14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,37)(H2,27,29,30,31,36)
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| InChIKey |
SLCQMPLIXDFFPV-UHFFFAOYSA-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