General Information of the Compound
| Compound ID |
CP0914017
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| Compound Name |
4-((S)-2-Amino-3-phenyl-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 |
C28H32N6O2S
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| Molecular Weight |
516.671
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1
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| InChI |
InChI=1S/C28H32N6O2S/c1-28(2,3)36-27(35)34-14-11-21-22(17-34)37-26-23(21)25(32-24(33-26)19-9-12-30-13-10-19)31-16-20(29)15-18-7-5-4-6-8-18/h4-10,12-13,20H,11,14-17,29H2,1-3H3,(H,31,32,33)/t20-/m0/s1
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| InChIKey |
RMEXCAWMHNPOKM-FQEVSTJZSA-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