General Information of the Compound
| Compound ID |
CP0568398
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| Compound Name |
3-({3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C19H16ClN5O4S
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| Molecular Weight |
445.888
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| Canonical SMILES |
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12)C(N)=O
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| InChI |
InChI=1S/C19H16ClN5O4S/c1-9-15-18(30-16(9)17(21)27)22-8-25(19(15)28)7-14-23-13(24-29-14)6-12(26)10-2-4-11(20)5-3-10/h2-5,8,12,26H,6-7H2,1H3,(H2,21,27)/t12-/m0/s1
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| InChIKey |
RVGJWMWMMBRESO-LBPRGKRZSA-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