General Information of the Compound
| Compound ID |
CP0498891
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| Compound Name |
(2S)-2-cyclohexyl-2-[(2-{[(2,6-dimethyl-4-propylphenyl)carbamoyl]amino}-4-fluorophenyl)formamido]acetic acid
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| Structure |
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| Formula |
C27H34FN3O4
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| Molecular Weight |
483.584
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| Canonical SMILES |
CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C27H34FN3O4/c1-4-8-18-13-16(2)23(17(3)14-18)31-27(35)29-22-15-20(28)11-12-21(22)25(32)30-24(26(33)34)19-9-6-5-7-10-19/h11-15,19,24H,4-10H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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| InChIKey |
DVLYGIYYRPEEQN-DEOSSOPVSA-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