General Information of the Compound
| Compound ID |
CP0890219
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| Compound Name |
SID131463062
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| Structure |
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| Formula |
C31H32FN3O3
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| Molecular Weight |
513.613
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| Canonical SMILES |
COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@H]34)cc2)cc1
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| InChI |
InChI=1S/C31H32FN3O3/c1-38-27-15-11-23(12-16-27)8-7-22-9-13-24(14-10-22)30-28-20-34(17-2-3-18-35(28)29(30)21-36)31(37)33-26-6-4-5-25(32)19-26/h4-6,9-16,19,28-30,36H,2-3,17-18,20-21H2,1H3,(H,33,37)/t28-,29-,30-/m1/s1
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| InChIKey |
NFUVCDACYBTMFH-IDZRBWSNSA-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