General Information of the Compound
| Compound ID |
CP0572639
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| Compound Name |
US11136336, Example 6
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| Structure |
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| Formula |
C19H15F2N5O4S
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| Molecular Weight |
447.423
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| Canonical SMILES |
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4cc(F)cc(F)c4)no3)c(=O)c12)C(N)=O
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| InChI |
InChI=1S/C19H15F2N5O4S/c1-8-15-18(31-16(8)17(22)28)23-7-26(19(15)29)6-14-24-13(25-30-14)5-12(27)9-2-10(20)4-11(21)3-9/h2-4,7,12,27H,5-6H2,1H3,(H2,22,28)/t12-/m0/s1
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| InChIKey |
UTHLYYCFCKJWHC-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