General Information of the Compound
| Compound ID |
CP0574226
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| Compound Name |
1-[(3S)-3-[[6-(5,6-dimethoxypyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C20H23N5O3S
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| Molecular Weight |
413.503
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(OC)c1
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| InChI |
InChI=1S/C20H23N5O3S/c1-4-17(26)25-6-5-13(10-25)24-18-14-8-16(29-20(14)23-11-22-18)12-7-15(27-2)19(28-3)21-9-12/h7-9,11,13H,4-6,10H2,1-3H3,(H,22,23,24)/t13-/m0/s1
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| InChIKey |
RQDDWMKILMSXBN-ZDUSSCGKSA-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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