General Information of the Compound
| Compound ID |
CP0562906
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| Compound Name |
US9346786, 121
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| Structure |
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| Formula |
C29H32ClFN4O5
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| Molecular Weight |
571.049
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C29H32ClFN4O5/c1-2-35(29(39)40-22-9-7-21(31)8-10-22)25-17-34(16-23(25)18-3-5-20(30)6-4-18)27(37)19-11-13-33(14-12-19)28(38)24-15-26(36)32-24/h3-10,19,23-25H,2,11-17H2,1H3,(H,32,36)/t23-,24-,25+/m0/s1
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| InChIKey |
KTNVJOUERLOPNU-CCDWMCETSA-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