General Information of the Compound
| Compound ID |
CP0517889
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| Compound Name |
US9169240, 79
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| Structure |
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| Formula |
C26H20N4O2S
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| Molecular Weight |
452.539
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| Canonical SMILES |
O=C(c1nnc(o1)N1CC[C@H](C1)c1ccccc1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C26H20N4O2S/c31-23(25-27-21-12-11-19(15-22(21)33-25)17-7-3-1-4-8-17)24-28-29-26(32-24)30-14-13-20(16-30)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2/t20-/m1/s1
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| InChIKey |
UGSOXUFANDNVMZ-HXUWFJFHSA-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