General Information of the Compound
| Compound ID |
CP0918232
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| Compound Name |
{4-[4-((S)-2-Amino-3-phenyl-propylamino)-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-7-yl]-phenyl}-methanol
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| Structure |
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| Formula |
C27H24FN5OS
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| Molecular Weight |
485.588
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccc(CO)cc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C27H24FN5OS/c28-23-14-30-11-10-21(23)26-32-24-22(19-8-6-18(15-34)7-9-19)16-35-25(24)27(33-26)31-13-20(29)12-17-4-2-1-3-5-17/h1-11,14,16,20,34H,12-13,15,29H2,(H,31,32,33)/t20-/m0/s1
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| InChIKey |
VCEBWVSGKWQMTN-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