General Information of the Compound
| Compound ID |
CP0510760
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| Compound Name |
US8546435, 8
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| Structure |
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| Formula |
C36H40N8O3
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| Molecular Weight |
632.769
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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(C)=O)cc1
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| InChI |
InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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| InChIKey |
OMEYXMRIYJZPAD-ROJLCIKYSA-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