General Information of the Compound
| Compound ID |
CP0544254
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| Compound Name |
US9018214, 219
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| Structure |
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| Formula |
C28H37F2N5O2
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| Molecular Weight |
513.633
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| Canonical SMILES |
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2CCOCC2)CN1
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| InChI |
InChI=1S/C28H37F2N5O2/c1-19-15-34(23(13-31-19)16-33-6-8-37-9-7-33)17-27(36)35-18-28(2,3)24-14-32-22(12-26(24)35)10-20-4-5-21(29)11-25(20)30/h4-5,11-12,14,19,23,31H,6-10,13,15-18H2,1-3H3/t19-,23-/m1/s1
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| InChIKey |
SLOACHVXDBMUCE-AUSIDOKSSA-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