General Information of the Compound
| Compound ID |
CP0498892
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmethyl)-2,6-dimethylphenyl]carbamoyl}amino)-4-fluorophenyl]formamido}butanoic acid
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| Structure |
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| Formula |
C28H36FN3O5
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| Molecular Weight |
513.61
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)C(O)=O
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| InChI |
InChI=1S/C28H36FN3O5/c1-15-11-19(13-18-7-8-18)12-16(2)23(15)32-27(36)30-22-14-20(29)9-10-21(22)25(33)31-24(26(34)35)17(3)37-28(4,5)6/h9-12,14,17-18,24H,7-8,13H2,1-6H3,(H,31,33)(H,34,35)(H2,30,32,36)/t17-,24+/m1/s1
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| InChIKey |
KPFQBHKMIRVBFO-OSPHWJPCSA-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