General Information of the Compound
| Compound ID |
CP0521029
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| Compound Name |
US8618303, 36
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| Structure |
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| Formula |
C31H31ClFN3O4
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| Molecular Weight |
564.057
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| Canonical SMILES |
CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)N1CCCCC1=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H31ClFN3O4/c1-31(22-8-10-23(32)11-9-22)20-35(19-27(31)34(2)30(39)40-26-16-12-24(33)13-17-26)29(38)21-6-14-25(15-7-21)36-18-4-3-5-28(36)37/h6-17,27H,3-5,18-20H2,1-2H3/t27-,31+/m1/s1
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| InChIKey |
AMXZZYNDDNSEEE-JOMNFKBKSA-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