General Information of the Compound
| Compound ID |
CP0354581
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| Compound Name |
(6S,9R,12R)-12-benzyl-6-[(2S)-butan-2-yl]-8,9-dimethyl-5,8,11,14-tetrazabicyclo[17.4.0]tricosa-1(23),19,21-triene-7,10,13-trione
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| Structure |
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| Formula |
C32H46N4O3
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| Molecular Weight |
534.745
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C32H46N4O3/c1-5-23(2)29-32(39)36(4)24(3)30(37)35-28(22-25-14-7-6-8-15-25)31(38)34-20-12-11-18-26-16-9-10-17-27(26)19-13-21-33-29/h6-10,14-17,23-24,28-29,33H,5,11-13,18-22H2,1-4H3,(H,34,38)(H,35,37)/t23-,24+,28+,29-/m0/s1
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| InChIKey |
OCWFJYXMVLSTDO-OTEJSBPHSA-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