General Information of the Compound
| Compound ID |
CP0540022
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| Compound Name |
US9346786, 87
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| Structure |
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| Formula |
C30H35ClFN3O4
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| Molecular Weight |
556.078
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H35ClFN3O4/c1-2-35(30(38)39-25-12-10-24(32)11-13-25)27-19-34(18-26(27)20-6-8-23(31)9-7-20)29(37)22-14-16-33(17-15-22)28(36)21-4-3-5-21/h6-13,21-22,26-27H,2-5,14-19H2,1H3/t26-,27+/m0/s1
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| InChIKey |
HACCHXVSAWIMAY-RRPNLBNLSA-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