General Information of the Compound
| Compound ID |
CP0947489
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| Compound Name |
(S)-N'1-[7-(2-Isopropoxy-5-methyl-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 |
C31H33N5OS
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| Molecular Weight |
523.706
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| Canonical SMILES |
Cc1ccc(OC(C)C)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1
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| InChI |
InChI=1S/C31H33N5OS/c1-19(2)37-26-11-10-20(3)16-25(26)27-21(4)38-29-28(27)35-30(23-12-14-33-15-13-23)36-31(29)34-18-24(32)17-22-8-6-5-7-9-22/h5-16,19,24H,17-18,32H2,1-4H3,(H,34,35,36)/t24-/m0/s1
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| InChIKey |
VQDQGFDRPVJYEG-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