General Information of the Compound
| Compound ID |
CP0530287
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| Compound Name |
(S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C27H30FN3O3
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| Molecular Weight |
463.553
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| Canonical SMILES |
CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
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| InChI |
InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
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| InChIKey |
FNNZTVNFLDAFQT-NRFANRHFSA-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