General Information of the Compound
| Compound ID |
CP0524509
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| Compound Name |
US8618303, 2
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| Structure |
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| Formula |
C31H39ClFN3O3
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| Molecular Weight |
556.122
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C31H39ClFN3O3/c1-31(34(2)30(38)39-27-14-12-25(33)13-15-27)21-36(20-28(31)22-8-10-24(32)11-9-22)29(37)23-16-18-35(19-17-23)26-6-4-3-5-7-26/h8-15,23,26,28H,3-7,16-21H2,1-2H3/t28-,31+/m1/s1
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| InChIKey |
OLZLZVWXPZUYLD-MVSFAKPFSA-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