General Information of the Compound
| Compound ID |
CP0490190
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| Compound Name |
US9169240, 39
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| Structure |
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| Formula |
C24H21N5O4S
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| Molecular Weight |
475.53
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| Canonical SMILES |
CC(C)N1C(=O)NC(C)(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)C1=O
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| InChI |
InChI=1S/C24H21N5O4S/c1-13(2)29-22(31)24(3,26-23(29)32)12-18-27-28-20(33-18)19(30)21-25-16-10-9-15(11-17(16)34-21)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,26,32)
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| InChIKey |
PWWMDXGGZBZCJU-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