General Information of the Compound
| Compound ID |
CP0881651
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| Compound Name |
SID87540041
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| Structure |
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| Formula |
C38H49F3N4O6
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| Molecular Weight |
714.826
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| Canonical SMILES |
COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
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| InChI |
InChI=1S/C38H49F3N4O6/c1-25-21-45(26(2)24-46)36(47)33-20-31(43-37(48)42-30-13-11-29(12-14-30)38(39,40)41)15-18-34(33)51-27(3)8-6-7-19-50-35(25)23-44(4)22-28-9-16-32(49-5)17-10-28/h9-18,20,25-27,35,46H,6-8,19,21-24H2,1-5H3,(H2,42,43,48)/t25-,26+,27-,35-/m0/s1
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| InChIKey |
XGMQKVJTWVADHD-HJBDBDOVSA-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