General Information of the Compound
| Compound ID |
CP0126988
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| Compound Name |
US8546435, 5
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| Structure |
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| Formula |
C35H33N7O3
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| Molecular Weight |
599.695
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
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| InChI |
InChI=1S/C35H33N7O3/c1-45-27-16-14-25(15-17-27)22-42-33(31(38-23-43)19-24-9-3-2-4-10-24)40-41-34(42)32(39-35(44)30-13-7-8-18-36-30)20-26-21-37-29-12-6-5-11-28(26)29/h2-18,21,23,31-32,37H,19-20,22H2,1H3,(H,38,43)(H,39,44)/t31-,32-/m1/s1
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| InChIKey |
YSSONUCZBHLAKQ-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