General Information of the Compound
| Compound ID |
CP0469706
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| Compound Name |
US9428505, Compound 8
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| Structure |
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| Formula |
C31H34F3N5O6S
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| Molecular Weight |
661.703
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| Canonical SMILES |
Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CCCC1
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| InChI |
InChI=1S/C31H34F3N5O6S/c1-19-17-22(39-28(42)36-27(41)30(39)10-3-4-11-30)18-20(2)24(19)9-16-46(43,44)38-14-12-29(13-15-38)26(40)35-25(37-29)21-5-7-23(8-6-21)45-31(32,33)34/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,35,37,40)(H,36,41,42)
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| InChIKey |
XRQFZVXCVAFCOM-UHFFFAOYSA-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
Protein ID: PT06582, Parathyroid hormone/parathyroid hormone-related peptide receptor
Protein ID: PT02986, Parathyroid hormone/parathyroid hormone-related peptide receptor