General Information of the Compound
| Compound ID |
CP0461588
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| Compound Name |
US8901315, 413
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| Structure |
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| Formula |
C24H31N5O2S
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| Molecular Weight |
453.612
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(CN2CCC(O)CC2)nc1
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| InChI |
InChI=1S/C24H31N5O2S/c1-16-21-13-22(32-24(21)29(27-16)19-5-3-2-4-6-19)23(31)26-17-7-8-18(25-14-17)15-28-11-9-20(30)10-12-28/h7-8,13-14,19-20,30H,2-6,9-12,15H2,1H3,(H,26,31)
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| InChIKey |
JYYBBWNJYGTLSL-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