General Information of the Compound
| Compound ID |
CP0526135
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| Compound Name |
US9346786, 97
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| Structure |
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| Formula |
C31H37ClFN3O5
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| Molecular Weight |
586.104
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCOCC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H37ClFN3O5/c1-2-36(31(39)41-26-9-7-25(33)8-10-26)28-20-35(19-27(28)21-3-5-24(32)6-4-21)30(38)22-11-15-34(16-12-22)29(37)23-13-17-40-18-14-23/h3-10,22-23,27-28H,2,11-20H2,1H3/t27-,28+/m0/s1
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| InChIKey |
AUUPZFZZCRPIRL-WUFINQPMSA-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