General Information of the Compound
| Compound ID |
CP0151994
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| Compound Name |
(6S,12R)-12-[(4-hydroxyphenyl)methyl]-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C28H38N4O5
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| Molecular Weight |
510.635
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C28H38N4O5/c1-3-7-23-28(36)32(2)19-26(34)31-24(18-20-11-13-22(33)14-12-20)27(35)30-15-6-9-21-8-4-5-10-25(21)37-17-16-29-23/h4-5,8,10-14,23-24,29,33H,3,6-7,9,15-19H2,1-2H3,(H,30,35)(H,31,34)/t23-,24+/m0/s1
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| InChIKey |
IHPKBGRMJNCAJW-BJKOFHAPSA-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