General Information of the Compound
| Compound ID |
CP0883287
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| Compound Name |
SID131409570
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| Structure |
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| Formula |
C33H37F3N4O6
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| Molecular Weight |
642.675
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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)Cc1ccc2c(c1)OCO2
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| InChI |
InChI=1S/C33H37F3N4O6/c1-20-15-40(21(2)18-41)31(42)14-23-13-26(38-32(43)37-25-7-5-24(6-8-25)33(34,35)36)9-11-27(23)46-30(20)17-39(3)16-22-4-10-28-29(12-22)45-19-44-28/h4-13,20-21,30,41H,14-19H2,1-3H3,(H2,37,38,43)/t20-,21+,30+/m1/s1
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| InChIKey |
YDQHBDWJWTWAAY-QPPRZBLKSA-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