General Information of the Compound
| Compound ID |
CP0957977
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| Compound Name |
US9266876, 43
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| Structure |
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| Formula |
C25H25N7O2S
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| Molecular Weight |
487.589
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| Canonical SMILES |
CC(O)c1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1
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| InChI |
InChI=1S/C25H25N7O2S/c1-16(33)24-29-21(22-27-18-6-2-3-7-19(18)28-22)25(35-24)31-13-11-30(12-14-31)20(34)15-32-10-8-17-5-4-9-26-23(17)32/h2-10,16,33H,11-15H2,1H3,(H,27,28)
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| InChIKey |
FRHYGUPKSSETJT-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