General Information of the Compound
| Compound ID |
CP0452533
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| Compound Name |
(2S)-2-cyclohexyl-2-{[2-({[4-(cyclopropylmethyl)-2,6-dimethylphenyl]carbamoyl}amino)-4-fluorophenyl]formamido}acetic acid
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| Structure |
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| Formula |
C28H34FN3O4
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| Molecular Weight |
495.595
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| Canonical SMILES |
Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C28H34FN3O4/c1-16-12-19(14-18-8-9-18)13-17(2)24(16)32-28(36)30-23-15-21(29)10-11-22(23)26(33)31-25(27(34)35)20-6-4-3-5-7-20/h10-13,15,18,20,25H,3-9,14H2,1-2H3,(H,31,33)(H,34,35)(H2,30,32,36)/t25-/m0/s1
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| InChIKey |
XUJLFPBPUYFSHU-VWLOTQADSA-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