General Information of the Compound
| Compound ID |
CP0563417
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| Compound Name |
US9266876, 52
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| Structure |
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| Formula |
C25H24N6O2S
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| Molecular Weight |
472.574
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| Canonical SMILES |
COc1cccc2n(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)ccc12
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| InChI |
InChI=1S/C25H24N6O2S/c1-33-21-8-4-7-20-17(21)9-10-31(20)15-22(32)29-11-13-30(14-12-29)25-23(26-16-34-25)24-27-18-5-2-3-6-19(18)28-24/h2-10,16H,11-15H2,1H3,(H,27,28)
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| InChIKey |
BTZYHIMCHBMSNM-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