General Information of the Compound
| Compound ID |
CP0885370
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| Compound Name |
(2S)-2-amino-4-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1-(3-(trifluoromethyl)pyrrolidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C26H29F5N4O2
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| Molecular Weight |
524.534
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| Canonical SMILES |
N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1CCC(C(F)(F)F)C1
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| InChI |
InChI=1S/C26H29F5N4O2/c27-20-5-1-17(2-6-20)24(18-3-7-21(28)8-4-18)34-13-11-33(12-14-34)23(36)15-22(32)25(37)35-10-9-19(16-35)26(29,30)31/h1-8,19,22,24H,9-16,32H2/t19?,22-/m0/s1
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| InChIKey |
MTKLZZACIKOPOZ-BPARTEKVSA-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