General Information of the Compound
| Compound ID |
CP0954703
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| Compound Name |
4-((S)-2-Amino-propylamino)-2-pyridin-4-yl-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C22H28N6O2S
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| Molecular Weight |
440.573
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| Canonical SMILES |
C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)OC(C)(C)C)C3
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| InChI |
InChI=1S/C22H28N6O2S/c1-13(23)11-25-19-17-15-7-10-28(21(29)30-22(2,3)4)12-16(15)31-20(17)27-18(26-19)14-5-8-24-9-6-14/h5-6,8-9,13H,7,10-12,23H2,1-4H3,(H,25,26,27)/t13-/m0/s1
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| InChIKey |
QGOMFOMRHUXVJA-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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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