General Information of the Compound
| Compound ID |
CP0563780
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| Compound Name |
US9346786, 105
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| Structure |
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| Formula |
C28H32ClF2N3O4
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| Molecular Weight |
548.03
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCC(=O)N(C1)C(C)C)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C28H32ClF2N3O4/c1-4-33(28(37)38-21-9-7-20(30)8-10-21)25-16-32(15-22(25)18-5-11-23(29)24(31)13-18)27(36)19-6-12-26(35)34(14-19)17(2)3/h5,7-11,13,17,19,22,25H,4,6,12,14-16H2,1-3H3/t19?,22-,25+/m0/s1
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| InChIKey |
CEVUZWOQTSWJHG-UCJRCBRZSA-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