General Information of the Compound
| Compound ID |
CP0966821
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| Compound Name |
SID87541724
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| Structure |
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| Formula |
C37H48Cl2N4O6
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| Molecular Weight |
715.719
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C37H48Cl2N4O6/c1-24-20-43(25(2)23-44)36(45)31-19-29(41-37(46)40-28-10-13-30(47-5)14-11-28)12-16-34(31)49-26(3)8-6-7-17-48-35(24)22-42(4)21-27-9-15-32(38)33(39)18-27/h9-16,18-19,24-26,35,44H,6-8,17,20-23H2,1-5H3,(H2,40,41,46)/t24-,25+,26-,35-/m1/s1
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| InChIKey |
YUYBEPSVBUXRNH-LVDDARDMSA-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