General Information of the Compound
| Compound ID |
CP0913530
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| Compound Name |
(5R)-N-[1-Ethyl-1-(4-ethylphenyl)propyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide p-toluenesulfonate
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| Synonyms |
Calcium-sensing receptor antagonists (osteoporosis), Takeda
TAK-075
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| Structure |
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| Formula |
C36H46N4O4S
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| Molecular Weight |
630.855
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| Canonical SMILES |
CCc1ccc(C(CC)(CC)NC(=O)c2c(C)nn3c2N[C@@H](c2ccccc2)CC3(C)C)cc1.Cc1ccc(S(=O)(=O)O)cc1
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| InChI |
InChI=1S/C29H38N4O.C7H8O3S/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22;1-6-2-4-7(5-3-6)11(8,9)10/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34);2-5H,1H3,(H,8,9,10)/t24-;/m1./s1
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| InChIKey |
NDWLAPXXXCPRNP-GJFSDDNBSA-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
Clinical Information about the Compound