General Information of the Compound
| Compound ID |
CP0870813
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| Compound Name |
(5R)-N-(1-Ethyl-1-phenylpropyl)-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 |
C27H35ClN4O
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| Molecular Weight |
467.057
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccccc1.Cl
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| InChI |
InChI=1S/C27H34N4O.ClH/c1-6-27(7-2,21-16-12-9-13-17-21)29-25(32)23-19(3)30-31-24(23)28-22(18-26(31,4)5)20-14-10-8-11-15-20;/h8-17,22,28H,6-7,18H2,1-5H3,(H,29,32);1H/t22-;/m1./s1
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| InChIKey |
SISCQYFBJRDSKG-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