General Information of the Compound
| Compound ID |
CP0852465
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| Compound Name |
1-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropyl]-4-[(R)-hydroxy(phenyl)methyl]-5-methyl-2-phenylpyrazol-3-one
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
Cc1c([C@H](O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CN(C(C)C)C(C)C
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| InChI |
InChI=1S/C26H35N3O3/c1-18(2)27(19(3)4)16-23(30)17-28-20(5)24(25(31)21-12-8-6-9-13-21)26(32)29(28)22-14-10-7-11-15-22/h6-15,18-19,23,25,30-31H,16-17H2,1-5H3/t23-,25-/m1/s1
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| InChIKey |
GFQVZEFBKKUURV-ILBGXUMGSA-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