General Information of the Compound
| Compound ID |
CP0525450
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| Compound Name |
4-[1-Ethyl-1-({[(5R)-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidin-3-yl]carbonyl}amino)-propyl]benzoic acid
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H34N4O3/c1-6-28(7-2,21-15-13-20(14-16-21)26(34)35)30-25(33)23-18(3)31-32-24(23)29-22(17-27(32,4)5)19-11-9-8-10-12-19/h8-16,22,29H,6-7,17H2,1-5H3,(H,30,33)(H,34,35)/t22-/m1/s1
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| InChIKey |
ZZLCKVFUCQCUST-JOCHJYFZSA-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