General Information of the Compound
| Compound ID |
CP0323244
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| Compound Name |
7-[(1S)-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C22H21N5O
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| Molecular Weight |
371.444
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| Canonical SMILES |
CC1(C)C(=O)N([C@H]2CCc3ccccc23)c2nc(Nc3cccnc3)ncc12
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| InChI |
InChI=1S/C22H21N5O/c1-22(2)17-13-24-21(25-15-7-5-11-23-12-15)26-19(17)27(20(22)28)18-10-9-14-6-3-4-8-16(14)18/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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| InChIKey |
APKZTNIHDKUHTG-SFHVURJKSA-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