General Information of the Compound
| Compound ID |
CP0943082
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| Compound Name |
3-((1R,3S)-3-((4-Fluorobenzyl)carbamoyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propanoic Acid
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| Structure |
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| Formula |
C22H22FN3O3
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| Molecular Weight |
395.434
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| Canonical SMILES |
O=C(O)CC[C@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C22H22FN3O3/c23-14-7-5-13(6-8-14)12-24-22(29)19-11-16-15-3-1-2-4-17(15)26-21(16)18(25-19)9-10-20(27)28/h1-8,18-19,25-26H,9-12H2,(H,24,29)(H,27,28)/t18-,19+/m1/s1
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| InChIKey |
ORULLWIUUKQDDN-MOPGFXCFSA-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