General Information of the Compound
| Compound ID |
CP0377910
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| Compound Name |
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-((S)-pyrrolidin-3-ylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C35H43ClN6O2
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| Molecular Weight |
615.222
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| Canonical SMILES |
CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/s1
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| InChIKey |
YUWKIIAXKBDHDF-ULPYORLWSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor