General Information of the Compound
| Compound ID |
CP0958087
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| Compound Name |
US8901315, 358
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| Structure |
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| Formula |
C23H34N4O3S
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| Molecular Weight |
446.617
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(CN4CCOCC4)CC3)cc12
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| InChI |
InChI=1S/C23H34N4O3S/c1-16-20-14-21(31-23(20)27(25-16)19-6-10-29-11-7-19)22(28)24-18-4-2-17(3-5-18)15-26-8-12-30-13-9-26/h14,17-19H,2-13,15H2,1H3,(H,24,28)
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| InChIKey |
RKSXWALAPJXPKX-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