General Information of the Compound
| Compound ID |
CP0105619
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| Compound Name |
4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-oxobutanamide
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| Structure |
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| Formula |
C28H31F2N5O3
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| Molecular Weight |
523.584
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| Canonical SMILES |
Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31F2N5O3/c29-22-7-3-20(4-8-22)28(21-5-9-23(30)10-6-21)34-16-14-33(15-17-34)26(37)12-11-25(36)32-19-27(38)35-13-1-2-24(35)18-31/h3-10,24,28H,1-2,11-17,19H2,(H,32,36)/t24-/m0/s1
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| InChIKey |
MMSXBRWGWZXQBP-DEOSSOPVSA-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