General Information of the Compound
| Compound ID |
CP0376449
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| Compound Name |
N-[(2R)-1-[(2R,4R)-2-[2-(diaminomethylideneamino)ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C34H43N7O4
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| Molecular Weight |
613.763
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| Canonical SMILES |
NC(N)=NCCNC(=O)[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C34H43N7O4/c35-34(36)39-17-16-38-32(43)30-20-28(45-22-24-10-11-25-8-4-5-9-27(25)18-24)21-41(30)33(44)29(19-23-6-2-1-3-7-23)40-31(42)26-12-14-37-15-13-26/h1-11,18,26,28-30,37H,12-17,19-22H2,(H,38,43)(H,40,42)(H4,35,36,39)/t28-,29-,30-/m1/s1
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| InChIKey |
NISOYWYHGOQPMJ-IDZRBWSNSA-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