General Information of the Compound
| Compound ID |
CP0552407
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| Compound Name |
US11136336, Example 3
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| Structure |
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| Formula |
C21H17N5O5S
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| Molecular Weight |
451.464
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| Canonical SMILES |
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4cc5ccccc5o4)no3)c(=O)c12)C(N)=O
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| InChI |
InChI=1S/C21H17N5O5S/c1-10-17-20(32-18(10)19(22)28)23-9-26(21(17)29)8-16-24-15(25-31-16)7-12(27)14-6-11-4-2-3-5-13(11)30-14/h2-6,9,12,27H,7-8H2,1H3,(H2,22,28)/t12-/m0/s1
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| InChIKey |
UFPYGNKXLRNGEZ-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