General Information of the Compound
| Compound ID |
CP0536633
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| Compound Name |
1-(2-Hydroxy-3-propylamino-propyl)-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
CCCNCC(O)Cn1c(C)c(C(=O)CCc2ccccc2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C25H31N3O3/c1-3-16-26-17-22(29)18-27-19(2)24(23(30)15-14-20-10-6-4-7-11-20)25(31)28(27)21-12-8-5-9-13-21/h4-13,22,26,29H,3,14-18H2,1-2H3
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| InChIKey |
MVBHWZHXSXDVEV-UHFFFAOYSA-N
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| CAS |
214603-84-6
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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