General Information of the Compound
| Compound ID |
CP0935208
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| Compound Name |
(5R)-N-[1-(4-Chloro-3-methoxyphenyl)-1-ethylpropyl]-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 |
C28H36Cl2N4O2
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| Molecular Weight |
531.528
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(Cl)c(OC)c1.Cl
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| InChI |
InChI=1S/C28H35ClN4O2.ClH/c1-7-28(8-2,20-14-15-21(29)23(16-20)35-6)31-26(34)24-18(3)32-33-25(24)30-22(17-27(33,4)5)19-12-10-9-11-13-19;/h9-16,22,30H,7-8,17H2,1-6H3,(H,31,34);1H/t22-;/m1./s1
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| InChIKey |
NUNLCPOUXGSUFK-VZYDHVRKSA-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