General Information of the Compound
| Compound ID |
CP0494893
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| Compound Name |
US9346786, 88
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| Structure |
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| Formula |
C30H35ClFN3O5
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| Molecular Weight |
572.077
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)COC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H35ClFN3O5/c1-3-35(29(38)40-24-10-8-23(32)9-11-24)26-17-34(16-25(26)20-4-6-22(31)7-5-20)27(36)21-12-14-33(15-13-21)28(37)30(2)18-39-19-30/h4-11,21,25-26H,3,12-19H2,1-2H3/t25-,26+/m0/s1
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| InChIKey |
HPOBAPGROQNQGL-IZZNHLLZSA-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