General Information of the Compound
| Compound ID |
CP0576014
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| Compound Name |
US8901315, 168
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| Formula |
C25H38N4O2S
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| Molecular Weight |
458.672
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| Canonical SMILES |
COC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
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| InChI |
InChI=1S/C25H38N4O2S/c1-17-22-16-23(32-25(22)29(27-17)20-6-4-3-5-7-20)24(30)26-18-8-10-19(11-9-18)28-14-12-21(31-2)13-15-28/h16,18-21H,3-15H2,1-2H3,(H,26,30)/t18-,19-
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| InChIKey |
KOWQJNLDLCTQNG-WGSAOQKQSA-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