General Information of the Compound
| Compound ID |
CP0906026
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| Compound Name |
(5R)-N-[1-Ethyl-1-(4-isopropylphenyl)propyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C30H41ClN4O
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| Molecular Weight |
509.138
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C(C)C)cc1.Cl
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| InChI |
InChI=1S/C30H40N4O.ClH/c1-8-30(9-2,24-17-15-22(16-18-24)20(3)4)32-28(35)26-21(5)33-34-27(26)31-25(19-29(34,6)7)23-13-11-10-12-14-23;/h10-18,20,25,31H,8-9,19H2,1-7H3,(H,32,35);1H/t25-;/m1./s1
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| InChIKey |
JPOKHIDDMJCGOZ-VQIWEWKSSA-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