General Information of the Compound
| Compound ID |
CP0481880
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| Compound Name |
5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]oxythieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C16H14Cl2N4O3S
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| Molecular Weight |
413.286
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| Canonical SMILES |
C[C@H](CO)Oc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(sc2n1)C(N)=O
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| InChI |
InChI=1S/C16H14Cl2N4O3S/c1-6(5-23)25-16-21-12(7-2-3-8(17)9(18)4-7)10-11(19)13(14(20)24)26-15(10)22-16/h2-4,6,23H,5,19H2,1H3,(H2,20,24)/t6-/m1/s1
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| InChIKey |
FSEMWXQKDZZYOY-ZCFIWIBFSA-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