General Information of the Compound
| Compound ID |
CP0447101
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| Compound Name |
(5R)-N-[1-(4-Acetylphenyl)-1-ethylpropyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C29H36N4O2/c1-7-29(8-2,23-16-14-21(15-17-23)20(4)34)31-27(35)25-19(3)32-33-26(25)30-24(18-28(33,5)6)22-12-10-9-11-13-22/h9-17,24,30H,7-8,18H2,1-6H3,(H,31,35)/t24-/m1/s1
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| InChIKey |
RSIFWSLPLFKXMS-XMMPIXPASA-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