General Information of the Compound
| Compound ID |
CP0885389
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| Compound Name |
(S)-2-Amino-4-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1-(4H-pyrrolo[3,4-c]isoxazol-5(6H)-yl)butane-1,4-dione 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C28H28F5N5O5
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| Molecular Weight |
609.552
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| Canonical SMILES |
N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2conc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H27F2N5O3.C2HF3O2/c27-20-5-1-17(2-6-20)25(18-3-7-21(28)8-4-18)32-11-9-31(10-12-32)24(34)13-22(29)26(35)33-14-19-16-36-30-23(19)15-33;3-2(4,5)1(6)7/h1-8,16,22,25H,9-15,29H2;(H,6,7)/t22-;/m0./s1
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| InChIKey |
CQNVAVPBJUUWAB-FTBISJDPSA-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