General Information of the Compound
| Compound ID |
CP0409492
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| Compound Name |
(S)-2-(5-(3-(methyl(5-methyl-2-p-tolylpyrimidin-4-yl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(C)cc1
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| InChI |
InChI=1S/C27H31N3O3/c1-18-5-7-20(8-6-18)26-28-17-19(2)27(29-26)30(3)13-4-14-33-23-11-12-24-21(15-23)9-10-22(24)16-25(31)32/h5-8,11-12,15,17,22H,4,9-10,13-14,16H2,1-3H3,(H,31,32)/t22-/m0/s1
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| InChIKey |
PRKXZISKHHPILQ-QFIPXVFZSA-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