General Information of the Compound
| Compound ID |
CP0482142
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| Compound Name |
(10S,13S,16S,19R,22S)-19-benzyl-16-[3-(diaminomethylideneamino)propyl]-22-(1H-imidazol-5-ylmethyl)-13-(1H-indol-3-ylmethyl)-7,12,15,18,21,24-hexaoxo-6,11,14,17,20,23-hexazaspiro[4.19]tetracosane-10-carboxamide
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| Structure |
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| Formula |
C43H55N13O7
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| Molecular Weight |
865.997
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
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| InChI |
InChI=1S/C43H55N13O7/c44-36(58)30-14-15-35(57)56-43(16-6-7-17-43)41(63)55-34(21-27-23-47-24-50-27)40(62)53-32(19-25-9-2-1-3-10-25)38(60)52-31(13-8-18-48-42(45)46)37(59)54-33(39(61)51-30)20-26-22-49-29-12-5-4-11-28(26)29/h1-5,9-12,22-24,30-34,49H,6-8,13-21H2,(H2,44,58)(H,47,50)(H,51,61)(H,52,60)(H,53,62)(H,54,59)(H,55,63)(H,56,57)(H4,45,46,48)/t30-,31-,32+,33-,34-/m0/s1
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| InChIKey |
IMHRKTSTOJYVSH-UBLLTGQXSA-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