General Information of the Compound
| Compound ID |
CP0237305
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutanamide
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| Structure |
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| Formula |
C22H28FN5O3
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| Molecular Weight |
429.496
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| Canonical SMILES |
Fc1ccc(CN2CCN(CC2)C(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1
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| InChI |
InChI=1S/C22H28FN5O3/c23-18-5-3-17(4-6-18)16-26-10-12-27(13-11-26)21(30)8-7-20(29)25-15-22(31)28-9-1-2-19(28)14-24/h3-6,19H,1-2,7-13,15-16H2,(H,25,29)/t19-/m0/s1
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| InChIKey |
TZAGITFKZZAYTH-IBGZPJMESA-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