General Information of the Compound
| Compound ID |
CP0881739
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| Compound Name |
SID87540147
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| Structure |
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| Formula |
C34H40F3N3O5
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| Molecular Weight |
627.704
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C34H40F3N3O5/c1-23-19-40(24(2)22-41)33(43)18-26-17-27(38-32(42)15-16-34(35,36)37)11-14-30(26)45-31(23)21-39(3)20-25-9-12-29(13-10-25)44-28-7-5-4-6-8-28/h4-14,17,23-24,31,41H,15-16,18-22H2,1-3H3,(H,38,42)/t23-,24+,31+/m1/s1
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| InChIKey |
JUFFYBBKNFKMBH-OXYPMYLPSA-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