General Information of the Compound
| Compound ID |
CP0537473
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| Compound Name |
US9266876, 4
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| Structure |
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| Formula |
C24H22N6OS
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| Molecular Weight |
442.548
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| Canonical SMILES |
O=C(Cn1ccc2ccccc12)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H22N6OS/c31-21(15-30-10-9-17-5-1-4-8-20(17)30)28-11-13-29(14-12-28)24-22(25-16-32-24)23-26-18-6-2-3-7-19(18)27-23/h1-10,16H,11-15H2,(H,26,27)
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| InChIKey |
VWQMPPWGVQVAFY-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