General Information of the Compound
| Compound ID |
CP0572439
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| Compound Name |
4-[2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
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| Structure |
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| Formula |
C20H16ClN3OS
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| Molecular Weight |
381.888
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| Canonical SMILES |
Oc1ccc(CCNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1
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| InChI |
InChI=1S/C20H16ClN3OS/c21-20-23-18(22-11-10-13-6-8-15(25)9-7-13)17-16(12-26-19(17)24-20)14-4-2-1-3-5-14/h1-9,12,25H,10-11H2,(H,22,23,24)
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| InChIKey |
KTSWJEQVEJFPOY-UHFFFAOYSA-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