General Information of the Compound
| Compound ID |
CP0558868
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| Compound Name |
US9598415, 214
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| Structure |
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| Formula |
C25H27N9O3S
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| Molecular Weight |
533.618
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| Canonical SMILES |
C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc(cn2)S(N)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1
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| InChI |
InChI=1S/C25H27N9O3S/c1-13-20(21(16-5-6-16)31-12-30-13)22-29-11-19-24(33-22)34(14(2)15-3-4-15)25(35)23(32-19)28-9-17-7-8-18(10-27-17)38(26,36)37/h7-8,10-12,14-16H,3-6,9H2,1-2H3,(H,28,32)(H2,26,36,37)/t14-/m0/s1
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| InChIKey |
ILKRYSYMBZSZDW-AWEZNQCLSA-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