General Information of the Compound
| Compound ID |
CP0952976
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| Compound Name |
3-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-prop-2-yn-1-ol
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| Structure |
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| Formula |
C23H21N5OS
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| Molecular Weight |
415.522
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCO)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C23H21N5OS/c24-19(13-16-5-2-1-3-6-16)14-26-23-21-20(18(15-30-21)7-4-12-29)27-22(28-23)17-8-10-25-11-9-17/h1-3,5-6,8-11,15,19,29H,12-14,24H2,(H,26,27,28)/t19-/m0/s1
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| InChIKey |
PNHZJGJZLDZVRW-IBGZPJMESA-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