General Information of the Compound
| Compound ID |
CP0425592
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| Compound Name |
N-[2,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C29H35F3N4O
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| Molecular Weight |
512.62
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| Canonical SMILES |
CC(C)C(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)(C(C)C)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H35F3N4O/c1-18(2)28(19(3)4,21-12-14-22(15-13-21)29(30,31)32)35-26(37)23-17-33-36-25(23)34-24(16-27(36,5)6)20-10-8-7-9-11-20/h7-15,17-19,24,34H,16H2,1-6H3,(H,35,37)
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| InChIKey |
HEACTIIRRWFXQD-UHFFFAOYSA-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