General Information of the Compound
| Compound ID |
CP0537003
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| Compound Name |
US8940771, 107
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| Structure |
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| Formula |
C21H31N7O2S
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| Molecular Weight |
445.593
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| Canonical SMILES |
CN(C)C[C@]1(CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(n1)C(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C21H31N7O2S/c1-13-15(14-8-10-23-17(25-14)20(2,3)4)31-18(24-13)26-19(30)28-11-7-9-21(28,16(22)29)12-27(5)6/h8,10H,7,9,11-12H2,1-6H3,(H2,22,29)(H,24,26,30)/t21-/m1/s1
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| InChIKey |
UHKFOJFKFXDSKU-OAQYLSRUSA-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