General Information of the Compound
| Compound ID |
CP0565604
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| Compound Name |
US8906911, 46
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| Structure |
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| Formula |
C27H35ClF3N3O3
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| Molecular Weight |
542.042
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H35ClF3N3O3/c1-36-24-15-37-8-6-23(24)32-17-9-16-3-2-7-26(16,12-17)25(35)34-14-19-10-20(34)13-33(19)18-4-5-22(28)21(11-18)27(29,30)31/h4-5,11,16-17,19-20,23-24,32H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/m1/s1
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| InChIKey |
NDFZFLXFPXNWIR-RVBOJQKWSA-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