General Information of the Compound
| Compound ID |
CP0958001
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| Compound Name |
US9266876, 79
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| Structure |
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| Formula |
C24H22N8OS
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| Molecular Weight |
470.562
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| Canonical SMILES |
O=C(Cn1cnc2cccnc21)N1[C@@H]2CC[C@H]1CN(c1scnc1-c1nc3ccccc3[nH]1)C2
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| InChI |
InChI=1S/C24H22N8OS/c33-20(12-31-13-26-19-6-3-9-25-23(19)31)32-15-7-8-16(32)11-30(10-15)24-21(27-14-34-24)22-28-17-4-1-2-5-18(17)29-22/h1-6,9,13-16H,7-8,10-12H2,(H,28,29)/t15-,16+
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| InChIKey |
SLYWEALOTHOUOJ-IYBDPMFKSA-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