General Information of the Compound
| Compound ID |
CP0327955
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| Compound Name |
US8546435, 9
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| Structure |
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| Formula |
C35H38N8O3
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| Molecular Weight |
618.742
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC=O)cc1
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| InChI |
InChI=1S/C35H38N8O3/c1-35(2,36)34(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-41-32(43(33)20-22-12-14-25(46-3)15-13-22)30(39-21-44)16-23-18-37-28-10-6-4-8-26(23)28/h4-15,18-19,21,30-31,37-38H,16-17,20,36H2,1-3H3,(H,39,44)(H,40,45)/t30-,31-/m1/s1
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| InChIKey |
DEQOTWGMVLLXTM-FIRIVFDPSA-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: PT01155, Growth hormone secretagogue receptor type 1