General Information of the Compound
| Compound ID |
CP0421221
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| Compound Name |
N-[(2R)-3-(4-fluorophenyl)-1-[(2S)-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C36H38FN5O4
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| Molecular Weight |
623.729
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| Canonical SMILES |
CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1
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| InChI |
InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
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| InChIKey |
NVXVBSBXBTZZNU-RTOKGZNSSA-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