General Information of the Compound
| Compound ID |
CP0552408
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| Compound Name |
US11136336, Example 12
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| Structure |
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| Formula |
C21H18ClF2N5O4S
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| Molecular Weight |
509.922
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| Canonical SMILES |
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12)C(=O)NCC(F)F
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| InChI |
InChI=1S/C21H18ClF2N5O4S/c1-10-17-20(34-18(10)19(31)25-7-14(23)24)26-9-29(21(17)32)8-16-27-15(28-33-16)6-13(30)11-2-4-12(22)5-3-11/h2-5,9,13-14,30H,6-8H2,1H3,(H,25,31)/t13-/m0/s1
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| InChIKey |
CBZINAVQQWCRAE-ZDUSSCGKSA-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