General Information of the Compound
| Compound ID |
CP0073475
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| Compound Name |
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
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| Structure |
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| Formula |
C26H29F2N5O2
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| Molecular Weight |
481.547
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| Canonical SMILES |
Fc1ccc(cc1)C(N1CCN(CC(=O)NCC(=O)N2CCC[C@H]2C#N)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H29F2N5O2/c27-21-7-3-19(4-8-21)26(20-5-9-22(28)10-6-20)32-14-12-31(13-15-32)18-24(34)30-17-25(35)33-11-1-2-23(33)16-29/h3-10,23,26H,1-2,11-15,17-18H2,(H,30,34)/t23-/m0/s1
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| InChIKey |
ITQFEESMKGHJPM-QHCPKHFHSA-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