General Information of the Compound
| Compound ID |
CP0547480
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| Compound Name |
US9266876, 12
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| Structure |
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| Formula |
C24H22N6O3S
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| Molecular Weight |
474.546
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| Canonical SMILES |
COc1ccc2onc(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)c2c1
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| InChI |
InChI=1S/C24H22N6O3S/c1-32-15-6-7-20-16(12-15)19(28-33-20)13-21(31)29-8-10-30(11-9-29)24-22(25-14-34-24)23-26-17-4-2-3-5-18(17)27-23/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
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| InChIKey |
ZDUYKHFZQSJNFV-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