General Information of the Compound
| Compound ID |
CP0466652
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| Compound Name |
US8901315, 423
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| Formula |
C24H36N4O3S
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| Molecular Weight |
460.644
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CO)CC1
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| InChI |
InChI=1S/C24H36N4O3S/c1-16-21-14-22(32-24(21)28(26-16)20-8-12-31-13-9-20)23(30)25-18-2-4-19(5-3-18)27-10-6-17(15-29)7-11-27/h14,17-20,29H,2-13,15H2,1H3,(H,25,30)/t18-,19-
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| InChIKey |
BLOOHCCBHCWMJP-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