General Information of the Compound
| Compound ID |
CP0563458
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| Compound Name |
US9434725, 157
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| Structure |
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| Formula |
C22H26N8O2S
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| Molecular Weight |
466.571
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| Canonical SMILES |
CS(=O)(=O)CCn1cc(cn1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C22H26N8O2S/c1-33(31,32)11-10-29-16-18(15-25-29)19-12-20-17(13-24-19)14-26-30(20)22-5-2-4-21(27-22)28-8-3-6-23-7-9-28/h2,4-5,12-16,23H,3,6-11H2,1H3
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| InChIKey |
NCCOUWIBICXQSL-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