General Information of the Compound
| Compound ID |
CP0950372
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| Compound Name |
SID104170772
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| Structure |
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| Formula |
C38H48F3N3O5
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| Molecular Weight |
683.812
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C38H48F3N3O5/c1-26-22-44(27(2)25-45)37(47)33-21-32(42-36(46)20-29-11-6-5-7-12-29)17-18-34(33)49-28(3)10-8-9-19-48-35(26)24-43(4)23-30-13-15-31(16-14-30)38(39,40)41/h5-7,11-18,21,26-28,35,45H,8-10,19-20,22-25H2,1-4H3,(H,42,46)/t26-,27+,28+,35+/m1/s1
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| InChIKey |
KTOLAWMRFLMANX-PNCWTNKOSA-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