General Information of the Compound
| Compound ID |
CP0857029
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| Compound Name |
SID144194411
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| Structure |
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| Formula |
C34H38F3N3O3
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| Molecular Weight |
593.69
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)Cc1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C34H38F3N3O3/c1-22-17-40(23(2)20-41)33(42)32-31(28-14-7-8-15-29(28)39(32)4)27-13-6-5-11-25(27)21-43-30(22)19-38(3)18-24-10-9-12-26(16-24)34(35,36)37/h5-16,22-23,30,41H,17-21H2,1-4H3/t22-,23-,30+/m0/s1
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| InChIKey |
ZWEDFXZUTGJBMW-ZTNZZFSWSA-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