General Information of the Compound
| Compound ID |
CP0566378
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| Compound Name |
US9346786, 98
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| Structure |
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| Formula |
C33H41ClFN3O5
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| Molecular Weight |
614.158
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCOC(C)(C)C1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C33H41ClFN3O5/c1-4-38(32(41)43-27-11-9-26(35)10-12-27)29-21-37(20-28(29)22-5-7-25(34)8-6-22)30(39)23-13-16-36(17-14-23)31(40)24-15-18-42-33(2,3)19-24/h5-12,23-24,28-29H,4,13-21H2,1-3H3/t24?,28-,29+/m0/s1
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| InChIKey |
BPFKGAJXLJBBHS-RENJQWLISA-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