General Information of the Compound
| Compound ID |
CP0874201
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| Compound Name |
(S)-N'1-[7-(2-Isobutoxy-6-methoxy-phenyl)-6-methyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C32H35N5O2S
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| Molecular Weight |
553.732
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| Canonical SMILES |
COc1cccc(OCC(C)C)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C32H35N5O2S/c1-20(2)19-39-26-12-8-11-25(38-4)28(26)27-21(3)40-30-29(27)36-31(23-13-15-34-16-14-23)37-32(30)35-18-24(33)17-22-9-6-5-7-10-22/h5-16,20,24H,17-19,33H2,1-4H3,(H,35,36,37)/t24-/m0/s1
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| InChIKey |
QDUAQDHVYAWNHG-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