General Information of the Compound
| Compound ID |
CP0540021
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| Compound Name |
US9346786, 83
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| Structure |
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| Formula |
C33H37ClF2N4O4
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| Molecular Weight |
627.132
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)(C)O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C33H37ClF2N4O4/c1-4-40(32(42)44-25-9-7-24(35)8-10-25)29-20-39(19-26(29)22-5-11-27(34)28(36)17-22)31(41)21-13-15-38(16-14-21)30-12-6-23(18-37-30)33(2,3)43/h5-12,17-18,21,26,29,43H,4,13-16,19-20H2,1-3H3/t26-,29+/m0/s1
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| InChIKey |
KZYYJKYLJHACHR-LITSAYRRSA-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