General Information of the Compound
| Compound ID |
CP0505328
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| Compound Name |
4-[(4S)-Fluoro-1-[2-(2-methylphenylamino)-6-benzoxazolylacetyl]-(2S)-pyrrolidinylcarbonyl]-1-piperazinylacetic acid
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| Structure |
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| Formula |
C27H30FN5O5
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| Molecular Weight |
523.565
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| Canonical SMILES |
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3C(=O)N3CCN(CC(O)=O)CC3)cc2o1
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| InChI |
InChI=1S/C27H30FN5O5/c1-17-4-2-3-5-20(17)29-27-30-21-7-6-18(12-23(21)38-27)13-24(34)33-15-19(28)14-22(33)26(37)32-10-8-31(9-11-32)16-25(35)36/h2-7,12,19,22H,8-11,13-16H2,1H3,(H,29,30)(H,35,36)/t19-,22-/m0/s1
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| InChIKey |
GIGIMGKAFFGNRE-UGKGYDQZSA-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