General Information of the Compound
| Compound ID |
CP0570764
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| Compound Name |
US9169240, 7
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| Structure |
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| Formula |
C25H20N6O2S
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| Molecular Weight |
468.542
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| Canonical SMILES |
O=C(c1nnc(o1)C1CCN(CC1)c1ncccn1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C25H20N6O2S/c32-21(24-28-19-8-7-18(15-20(19)34-24)16-5-2-1-3-6-16)23-30-29-22(33-23)17-9-13-31(14-10-17)25-26-11-4-12-27-25/h1-8,11-12,15,17H,9-10,13-14H2
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| InChIKey |
VUNBSPQKSAUDGS-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