General Information of the Compound
| Compound ID |
CP0428958
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| Compound Name |
US10065961, Compound 10
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| Structure |
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| Formula |
C23H19N5OS
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| Molecular Weight |
413.506
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| Canonical SMILES |
C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H19N5OS/c1-2-21-24-19(15-30-21)22-26-25-20-14-27(12-13-28(20)22)23(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-11,15H,1,12-14H2
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| InChIKey |
APLXJTFZQWBTIJ-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