General Information of the Compound
| Compound ID |
CP0550221
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| Compound Name |
US8901315, 436
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| Formula |
C24H35N5O3S
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| Molecular Weight |
473.643
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| Canonical SMILES |
CCN1CCN(CC1=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCOCC3)c2s1
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| InChI |
InChI=1S/C24H35N5O3S/c1-3-27-10-11-28(15-22(27)30)18-6-4-17(5-7-18)25-23(31)21-14-20-16(2)26-29(24(20)33-21)19-8-12-32-13-9-19/h14,17-19H,3-13,15H2,1-2H3,(H,25,31)/t17-,18-
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| InChIKey |
ZHDGFRKNFZOICK-IYARVYRRSA-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