General Information of the Compound
| Compound ID |
CP0954578
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| Compound Name |
US8901315, 225
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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(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N(C)CCO)CC3)cc12
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| InChI |
InChI=1S/C23H34N4O3S/c1-15-19-14-20(31-23(19)27(25-15)18-6-4-3-5-7-18)21(29)24-17-10-8-16(9-11-17)22(30)26(2)12-13-28/h14,16-18,28H,3-13H2,1-2H3,(H,24,29)
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| InChIKey |
VZGAQHYVKQUMGY-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