General Information of the Compound
| Compound ID |
CP0499609
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| Compound Name |
US9346786, 25
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| Structure |
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| Formula |
C32H33ClF4N4O3
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| Molecular Weight |
633.086
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| Canonical SMILES |
CC(C)N([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H33ClF4N4O3/c1-20(2)41(31(43)44-26-10-8-25(34)9-11-26)28-19-40(18-27(28)21-3-6-24(33)7-4-21)30(42)22-13-15-39(16-14-22)29-12-5-23(17-38-29)32(35,36)37/h3-12,17,20,22,27-28H,13-16,18-19H2,1-2H3/t27-,28+/m0/s1
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| InChIKey |
SXTXHSSAVPAVJK-WUFINQPMSA-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