General Information of the Compound
| Compound ID |
CP0564103
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| Compound Name |
US9266876, 112
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| Structure |
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| Formula |
C24H23N7O3S
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| Molecular Weight |
489.561
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| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3c(O)cccc3[nH]2)c1=O
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| InChI |
InChI=1S/C24H23N7O3S/c1-28-16-6-2-3-7-17(16)31(24(28)34)13-19(33)29-9-11-30(12-10-29)23-21(25-14-35-23)22-26-15-5-4-8-18(32)20(15)27-22/h2-8,14,32H,9-13H2,1H3,(H,26,27)
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| InChIKey |
RWVGFPUZDWIRMV-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