General Information of the Compound
| Compound ID |
CP0222482
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| Compound Name |
1-ethyl-3-[4-[1-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]urea
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| Structure |
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| Formula |
C20H23N7O2
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| Molecular Weight |
393.451
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2C[C@@H]3C[C@H]2CO3)c2n(C)ncc2n1
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| InChI |
InChI=1S/C20H23N7O2/c1-3-21-20(28)23-13-6-4-12(5-7-13)18-24-16-9-22-26(2)17(16)19(25-18)27-10-15-8-14(27)11-29-15/h4-7,9,14-15H,3,8,10-11H2,1-2H3,(H2,21,23,28)/t14-,15-/m0/s1
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| InChIKey |
MKLJKVWGDOVVKJ-GJZGRUSLSA-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