General Information of the Compound
| Compound ID |
CP0850669
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| Compound Name |
(S)-N'1-[7-(5-Fluoro-2-isopropoxy-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 |
C30H30FN5OS
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| Molecular Weight |
527.669
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| Canonical SMILES |
Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cc(F)ccc1OC(C)C
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| InChI |
InChI=1S/C30H30FN5OS/c1-18(2)37-25-10-9-22(31)16-24(25)26-19(3)38-28-27(26)35-29(21-11-13-33-14-12-21)36-30(28)34-17-23(32)15-20-7-5-4-6-8-20/h4-14,16,18,23H,15,17,32H2,1-3H3,(H,34,35,36)/t23-/m0/s1
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| InChIKey |
VSIKMNXYNLTFAN-QHCPKHFHSA-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