General Information of the Compound
| Compound ID |
CP0487298
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| Compound Name |
(5S)-N-(1-adamantyl)-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 |
C25H32N4O
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| Molecular Weight |
404.558
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| Canonical SMILES |
CC1(C)C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1
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| InChI |
InChI=1S/C25H32N4O/c1-24(2)14-21(19-6-4-3-5-7-19)27-22-20(15-26-29(22)24)23(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,15-18,21,27H,8-14H2,1-2H3,(H,28,30)/t16?,17?,18?,21-,25?/m0/s1
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| InChIKey |
HHQOHMHZMHXOAV-ZNWBTVJYSA-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