General Information of the Compound
| Compound ID |
CP0378446
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| Compound Name |
(4R,7S,10S,13S)-7-[3-(diaminomethylideneamino)propyl]-10-(1H-indol-3-ylmethyl)-4-(naphthalen-2-ylmethyl)-2,5,8,11,19-pentaoxo-3,6,9,12,18,24-hexazabicyclo[18.3.1]tetracosa-1(23),20(24),21-triene-13-carboxamide
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| Structure |
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| Formula |
C43H49N11O6
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| Molecular Weight |
815.936
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| Canonical SMILES |
NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
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| InChI |
InChI=1S/C43H49N11O6/c44-37(55)31-13-5-6-19-47-38(56)32-14-7-15-33(50-32)39(57)53-35(22-25-17-18-26-9-1-2-10-27(26)21-25)41(59)52-34(16-8-20-48-43(45)46)40(58)54-36(42(60)51-31)23-28-24-49-30-12-4-3-11-29(28)30/h1-4,7,9-12,14-15,17-18,21,24,31,34-36,49H,5-6,8,13,16,19-20,22-23H2,(H2,44,55)(H,47,56)(H,51,60)(H,52,59)(H,53,57)(H,54,58)(H4,45,46,48)/t31-,34-,35+,36-/m0/s1
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| InChIKey |
MWUCNYWUPGVTSX-IIHRZFSGSA-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