General Information of the Compound
| Compound ID |
CP0513349
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| Compound Name |
US9346786, 109
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| Structure |
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| Formula |
C32H33ClF2N4O4
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| Molecular Weight |
611.089
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| Canonical SMILES |
CCC([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(N)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H33ClF2N4O4/c1-2-24(32(42)43-23-7-5-22(34)6-8-23)26-18-39(17-25(26)20-3-9-27(33)28(35)15-20)31(41)19-11-13-38(14-12-19)29-10-4-21(16-37-29)30(36)40/h3-10,15-16,19,24-26H,2,11-14,17-18H2,1H3,(H2,36,40)/t24?,25-,26-/m0/s1
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| InChIKey |
QYXMCQLLLIFEFM-WIXBZOCESA-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