General Information of the Compound
| Compound ID |
CP0553578
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| Compound Name |
US10065961, Compound 9
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| Structure |
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| Formula |
C21H17N5OS2
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| Molecular Weight |
419.535
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| Canonical SMILES |
C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C21H17N5OS2/c1-2-19-22-16(13-29-19)20-24-23-18-12-25(9-10-26(18)20)21(27)15-7-5-14(6-8-15)17-4-3-11-28-17/h2-8,11,13H,1,9-10,12H2
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| InChIKey |
BGMHMCCXCXGAEX-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