General Information of the Compound
| Compound ID |
CP0576590
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| Compound Name |
(2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]quinazolin-4-yl]amino]propan-1-ol
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| Structure |
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| Formula |
C18H17F2N3OS
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| Molecular Weight |
361.417
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2ccccc12
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| InChI |
InChI=1S/C18H17F2N3OS/c1-11(9-24)21-17-13-6-2-3-8-15(13)22-18(23-17)25-10-12-5-4-7-14(19)16(12)20/h2-8,11,24H,9-10H2,1H3,(H,21,22,23)/t11-/m1/s1
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| InChIKey |
IDBRSRMTGUWZFL-LLVKDONJSA-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