General Information of the Compound
| Compound ID |
CP0460122
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| Compound Name |
US8618303, 1
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| Structure |
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| Formula |
C29H35ClFN3O4
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| Molecular Weight |
544.067
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| Canonical SMILES |
CC(C)C(=O)N1CCC(CC1)C(=O)N1C[C@H](c2ccc(Cl)cc2)[C@](C)(C1)N(C)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C29H35ClFN3O4/c1-19(2)26(35)33-15-13-21(14-16-33)27(36)34-17-25(20-5-7-22(30)8-6-20)29(3,18-34)32(4)28(37)38-24-11-9-23(31)10-12-24/h5-12,19,21,25H,13-18H2,1-4H3/t25-,29+/m1/s1
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| InChIKey |
DLDCDIAJHWHLNQ-IRPSRAIASA-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