General Information of the Compound
| Compound ID |
CP0499613
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| Compound Name |
US9346786, 59
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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 |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H33ClF2N4O4/c1-3-39(32(42)43-25-8-6-24(34)7-9-25)29-19-38(18-26(29)22-4-10-27(33)28(35)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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| InChIKey |
FYLYPTHEGBOLPU-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