General Information of the Compound
| Compound ID |
CP0012998
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| Compound Name |
(3S)-3-(cyclobutylamino)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one
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| Structure |
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| Formula |
C24H25N9O
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| Molecular Weight |
455.526
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NC3CCC3)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C24H25N9O/c1-4-33-21(15-10-25-13(2)26-11-15)30-19-18(28-12-29-22(19)33)14-8-17-20(27-9-14)31-23(34)24(17,3)32-16-6-5-7-16/h8-12,16,32H,4-7H2,1-3H3,(H,27,31,34)/t24-/m0/s1
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| InChIKey |
BNJFRNUHOJJDBO-DEOSSOPVSA-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