General Information of the Compound
| Compound ID |
CP0557632
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| Compound Name |
US8901315, 313
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| Structure |
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| Formula |
C18H23N5O3S
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| Molecular Weight |
389.481
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NCCN1CC(=O)NC1=O
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| InChI |
InChI=1S/C18H23N5O3S/c1-11-13-9-14(16(25)19-7-8-22-10-15(24)20-18(22)26)27-17(13)23(21-11)12-5-3-2-4-6-12/h9,12H,2-8,10H2,1H3,(H,19,25)(H,20,24,26)
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| InChIKey |
RTMUPKQFVKDSNK-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