General Information of the Compound
| Compound ID |
CP0419825
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| Compound Name |
US8546435, 3
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| Structure |
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| Formula |
C38H36N8O3
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| Molecular Weight |
652.759
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
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| InChI |
InChI=1S/C38H36N8O3/c1-24(47)42-34(19-26-21-40-31-11-5-3-9-29(26)31)36-44-45-37(46(36)23-25-14-16-28(49-2)17-15-25)35(43-38(48)33-13-7-8-18-39-33)20-27-22-41-32-12-6-4-10-30(27)32/h3-18,21-22,34-35,40-41H,19-20,23H2,1-2H3,(H,42,47)(H,43,48)/t34-,35-/m1/s1
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| InChIKey |
LDYITYSXTZVFHS-VSJLXWSYSA-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