General Information of the Compound
| Compound ID |
CP0383567
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| Compound Name |
(10S,13S,16S,19R,22S)-16-[3-(diaminomethylideneamino)propyl]-22-(1H-imidazol-5-ylmethyl)-13-(1H-indol-3-ylmethyl)-19-(naphthalen-2-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 |
C47H57N13O7
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| Molecular Weight |
916.057
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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(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/C47H57N13O7/c48-40(62)34-15-16-39(61)60-47(17-5-6-18-47)45(67)59-38(23-31-25-51-26-54-31)44(66)57-36(21-27-13-14-28-8-1-2-9-29(28)20-27)42(64)56-35(12-7-19-52-46(49)50)41(63)58-37(43(65)55-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,13-14,20,24-26,34-38,53H,5-7,12,15-19,21-23H2,(H2,48,62)(H,51,54)(H,55,65)(H,56,64)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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| InChIKey |
ODSFZEXVNOIJHI-ILOBPARPSA-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