General Information of the Compound
| Compound ID |
CP0500557
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| Compound Name |
N-[3-(4-methoxyphenyl)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 |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H34N4O2/c1-6-27(7-2,20-13-15-21(33-5)16-14-20)30-25(32)22-18-28-31-24(22)29-23(17-26(31,3)4)19-11-9-8-10-12-19/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)
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| InChIKey |
LCKSNKOBGHCPJH-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