General Information of the Compound
| Compound ID |
CP0421925
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| Compound Name |
(S)-2-(2-fluoro-6-(trifluoromethyl)benzamido)-3-(4-(4-phenylpiperazin-1-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C27H25F4N3O3
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| Molecular Weight |
515.507
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C27H25F4N3O3/c28-22-8-4-7-21(27(29,30)31)24(22)25(35)32-23(26(36)37)17-18-9-11-20(12-10-18)34-15-13-33(14-16-34)19-5-2-1-3-6-19/h1-12,23H,13-17H2,(H,32,35)(H,36,37)/t23-/m0/s1
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| InChIKey |
AWFDHZGNICLZNJ-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