General Information of the Compound
| Compound ID |
CP0376439
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| Compound Name |
(S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C33H42N6O3
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| Molecular Weight |
570.738
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| Canonical SMILES |
NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C33H42N6O3/c34-33(35)37-17-6-12-27-20-28(42-22-24-14-15-25-10-4-5-11-26(25)18-24)21-39(27)32(41)30(19-23-8-2-1-3-9-23)38-31(40)29-13-7-16-36-29/h1-5,8-11,14-15,18,27-30,36H,6-7,12-13,16-17,19-22H2,(H,38,40)(H4,34,35,37)/t27-,28+,29-,30+/m0/s1
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| InChIKey |
ZTBIYCCYYNUCCA-RRGQHJHPSA-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: PT00911, Melanocyte-stimulating hormone receptor