General Information of the Compound
| Compound ID |
CP0424181
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| Compound Name |
US9062059, 9-2
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| Structure |
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| Formula |
C21H24N6OS
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| Molecular Weight |
408.531
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| Canonical SMILES |
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(cn3)C3CC3)nc(C)n2)s1
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| InChI |
InChI=1S/C21H24N6OS/c1-12-24-19(23-10-21-27-26-13(2)29-21)8-20(25-12)28-11-16-7-17(16)18-6-5-15(9-22-18)14-3-4-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3,(H,23,24,25)/t16-,17+/m1/s1
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| InChIKey |
YXYPFAJTRWPTLI-SJORKVTESA-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