General Information of the Compound
| Compound ID |
CP0259430
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| Compound Name |
N'-[bis(4-fluorophenyl)methyl]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]butanediamide
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| Structure |
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| Formula |
C24H24F2N4O3
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| Molecular Weight |
454.477
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| Canonical SMILES |
Fc1ccc(cc1)C(NC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24F2N4O3/c25-18-7-3-16(4-8-18)24(17-5-9-19(26)10-6-17)29-22(32)12-11-21(31)28-15-23(33)30-13-1-2-20(30)14-27/h3-10,20,24H,1-2,11-13,15H2,(H,28,31)(H,29,32)/t20-/m0/s1
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| InChIKey |
HNYOSYHIRFAFLV-FQEVSTJZSA-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