General Information of the Compound
| Compound ID |
CP0490685
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| Compound Name |
1-[(4S)-Fluoro-1-[2-(2-methylphenylamino)-6-benzoxazolylacetyl]-(2S)-pyrrolidinylcarbonyl]-4-piperidinylacetic acid
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| Structure |
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| Formula |
C28H31FN4O5
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| Molecular Weight |
522.577
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| Canonical SMILES |
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3C(=O)N3CCC(CC(O)=O)CC3)cc2o1
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| InChI |
InChI=1S/C28H31FN4O5/c1-17-4-2-3-5-21(17)30-28-31-22-7-6-19(12-24(22)38-28)13-25(34)33-16-20(29)15-23(33)27(37)32-10-8-18(9-11-32)14-26(35)36/h2-7,12,18,20,23H,8-11,13-16H2,1H3,(H,30,31)(H,35,36)/t20-,23-/m0/s1
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| InChIKey |
RNONHKYHQFSZDY-REWPJTCUSA-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