General Information of the Compound
| Compound ID |
CP0383565
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| Compound Name |
(11S,14S,17S,20R,23S)-17-[3-(diaminomethylideneamino)propyl]-23-(1H-imidazol-5-ylmethyl)-14-(1H-indol-3-ylmethyl)-20-(naphthalen-2-ylmethyl)-8,13,16,19,22,25-hexaoxo-7,12,15,18,21,24-hexazaspiro[5.19]pentacosane-11-carboxamide
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| Structure |
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| Formula |
C48H59N13O7
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| Molecular Weight |
930.084
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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(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
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| InChI |
InChI=1S/C48H59N13O7/c49-41(63)35-16-17-40(62)61-48(18-6-1-7-19-48)46(68)60-39(24-32-26-52-27-55-32)45(67)58-37(22-28-14-15-29-9-2-3-10-30(29)21-28)43(65)57-36(13-8-20-53-47(50)51)42(64)59-38(44(66)56-35)23-31-25-54-34-12-5-4-11-33(31)34/h2-5,9-12,14-15,21,25-27,35-39,54H,1,6-8,13,16-20,22-24H2,(H2,49,63)(H,52,55)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,68)(H,61,62)(H4,50,51,53)/t35-,36-,37+,38-,39-/m0/s1
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| InChIKey |
ZRCSDDHAGXRMLM-XKWAVOGESA-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