General Information of the Compound
| Compound ID |
CP0389079
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| Compound Name |
(8S,11S,14S,17R,20S)-14-[3-(diaminomethylideneamino)propyl]-20-(1H-imidazol-5-ylmethyl)-11-(1H-indol-3-ylmethyl)-17-(naphthalen-2-ylmethyl)-6,10,13,16,19,22-hexaoxo-5,9,12,15,18,21-hexazaspiro[3.18]docosane-8-carboxamide
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| Structure |
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| Formula |
C45H53N13O7
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| Molecular Weight |
888.003
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
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| InChI |
InChI=1S/C45H53N13O7/c46-38(60)33-21-37(59)58-45(14-6-15-45)43(65)57-36(20-29-23-49-24-52-29)42(64)55-34(18-25-12-13-26-7-1-2-8-27(26)17-25)40(62)53-32(11-5-16-50-44(47)48)39(61)56-35(41(63)54-33)19-28-22-51-31-10-4-3-9-30(28)31/h1-4,7-10,12-13,17,22-24,32-36,51H,5-6,11,14-16,18-21H2,(H2,46,60)(H,49,52)(H,53,62)(H,54,63)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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| InChIKey |
ZWTUZOQCWSYYNO-AGEXMYHWSA-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