General Information of the Compound
| Compound ID |
CP0551744
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| Compound Name |
cyclobutyl-[(3S)-3-[[6-(5,6-dimethoxypyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C22H25N5O3S
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| Molecular Weight |
439.541
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| Canonical SMILES |
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C3CCC3)ncnc2s1
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| InChI |
InChI=1S/C22H25N5O3S/c1-29-17-8-14(10-23-20(17)30-2)18-9-16-19(24-12-25-21(16)31-18)26-15-6-7-27(11-15)22(28)13-4-3-5-13/h8-10,12-13,15H,3-7,11H2,1-2H3,(H,24,25,26)/t15-/m0/s1
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| InChIKey |
XIPMIAQFOCCQEU-HNNXBMFYSA-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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