General Information of the Compound
| Compound ID |
CP0565569
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| Compound Name |
US8901315, 379
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| Structure |
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| Formula |
C21H25N5O3S
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| Molecular Weight |
427.53
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)NCCO
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| InChI |
InChI=1S/C21H25N5O3S/c1-13-16-11-18(30-21(16)26(25-13)15-5-3-2-4-6-15)20(29)24-14-7-8-17(23-12-14)19(28)22-9-10-27/h7-8,11-12,15,27H,2-6,9-10H2,1H3,(H,22,28)(H,24,29)
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| InChIKey |
GCQTYWYVDYTQCZ-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