General Information of the Compound
| Compound ID |
CP0474620
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-methylbutanamide
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| Structure |
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| Formula |
C20H30N6O2
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| Molecular Weight |
386.5
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| Canonical SMILES |
COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C20H30N6O2/c1-13(2)9-19(27)21-17-11-18(25-8-6-7-16(25)12-28-5)23-20(22-17)26-15(4)10-14(3)24-26/h10-11,13,16H,6-9,12H2,1-5H3,(H,21,22,23,27)/t16-/m1/s1
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| InChIKey |
CKWQSSKRPNSISV-MRXNPFEDSA-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