General Information of the Compound
| Compound ID |
CP0918066
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| Compound Name |
SID131409347
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| Structure |
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| Formula |
C38H41F3N4O5
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| Molecular Weight |
690.763
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C38H41F3N4O5/c1-25-21-45(26(2)24-46)36(47)20-28-19-31(43-37(48)42-30-13-11-29(12-14-30)38(39,40)41)15-18-34(28)50-35(25)23-44(3)22-27-9-16-33(17-10-27)49-32-7-5-4-6-8-32/h4-19,25-26,35,46H,20-24H2,1-3H3,(H2,42,43,48)/t25-,26+,35+/m1/s1
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| InChIKey |
GFBGNCUTLBGSKQ-AWYDNWMNSA-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