General Information of the Compound
| Compound ID |
CP0418606
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| Compound Name |
5-[(Diphenylmethyl)carbonyl]amino-8-(3-phenylpropyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
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| Structure |
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| Formula |
C33H27N7O2
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| Molecular Weight |
553.626
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| Canonical SMILES |
O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H27N7O2/c41-32(28(24-15-6-2-7-16-24)25-17-8-3-9-18-25)36-33-35-29-26(31-34-30(38-40(31)33)27-19-11-21-42-27)22-39(37-29)20-10-14-23-12-4-1-5-13-23/h1-9,11-13,15-19,21-22,28H,10,14,20H2,(H,35,36,37,41)
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| InChIKey |
DQISRGLAFBOHSH-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: PT01278, Adenosine receptor A2b