General Information of the Compound
| Compound ID |
CP0498854
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| Compound Name |
D3RKN_118
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| Structure |
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| Formula |
C31H29F2N7O3S2
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| Molecular Weight |
649.749
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| Canonical SMILES |
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
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| InChI |
InChI=1S/C31H29F2N7O3S2/c1-19(2)30-38-27(20-5-3-6-21(17-20)39-45(41,42)29-23(32)7-4-8-24(29)33)28(44-30)25-11-12-34-31(37-25)36-22-9-10-26(35-18-22)40-13-15-43-16-14-40/h3-12,17-19,39H,13-16H2,1-2H3,(H,34,36,37)
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| InChIKey |
LFYJXEXEFATBPN-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