General Information of the Compound
| Compound ID |
CP0489335
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| Compound Name |
(S)-2-(2,6-difluorobenzamido)-3-(4-(4-phenylpiperazin-1-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C26H25F2N3O3
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| Molecular Weight |
465.5
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(F)cccc1F
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| InChI |
InChI=1S/C26H25F2N3O3/c27-21-7-4-8-22(28)24(21)25(32)29-23(26(33)34)17-18-9-11-20(12-10-18)31-15-13-30(14-16-31)19-5-2-1-3-6-19/h1-12,23H,13-17H2,(H,29,32)(H,33,34)/t23-/m0/s1
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| InChIKey |
JIBBHPVMZOLTIA-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