General Information of the Compound
| Compound ID |
CP0544217
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| Compound Name |
US11247971, Cmpd ID 396
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| Formula |
C30H29F4N5O4S2
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| Molecular Weight |
663.719
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCCC(C2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H29F4N5O4S2/c31-23-12-18(8-9-26(23)45(35,42)43)11-22-25(13-17-6-7-17)39(29-36-24(16-44-29)28(40)41)37-27(22)19-3-1-5-21(14-19)38-10-2-4-20(15-38)30(32,33)34/h1,3,5,8-9,12,14,16-17,20H,2,4,6-7,10-11,13,15H2,(H,40,41)(H2,35,42,43)
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| InChIKey |
YNQBBWMJOALWNR-UHFFFAOYSA-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