General Information of the Compound
| Compound ID |
CP0518492
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| Compound Name |
US10065961, Compound 16
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| Structure |
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| Formula |
C22H21N5OS2
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| Molecular Weight |
435.578
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1nc(C)sc1C)C(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C22H21N5OS2/c1-13-20-24-25-21(19-14(2)30-15(3)23-19)27(20)11-10-26(13)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
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| InChIKey |
LWCJWXWXIZQQQQ-CYBMUJFWSA-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