General Information of the Compound
| Compound ID |
CP0539007
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| Compound Name |
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
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| Structure |
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| Formula |
C24H27ClN2O2
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| Molecular Weight |
410.945
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| Canonical SMILES |
COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1CCO[C@H](C1)C(C)C
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| InChI |
InChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24-/m1/s1
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| InChIKey |
VTJFSPOVFGEZFH-HOYKHHGWSA-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