General Information of the Compound
| Compound ID |
CP0386811
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| Compound Name |
(1R,2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C38H56N12O8
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| Molecular Weight |
808.942
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C38H56N12O8/c1-21(51)46-31(20-23-11-15-25(53)16-12-23)36(58)49-29(8-4-18-45-38(42)43)34(56)47-27-6-2-5-26(27)33(55)48-28(7-3-17-44-37(40)41)35(57)50-30(32(39)54)19-22-9-13-24(52)14-10-22/h9-16,26-31,52-53H,2-8,17-20H2,1H3,(H2,39,54)(H,46,51)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,40,41,44)(H4,42,43,45)/t26-,27+,28+,29+,30+,31+/m1/s1
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| InChIKey |
NOEROLAGMBMTEL-KLLDHOPQSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01909, Neuropeptide Y receptor type 4
Protein ID: PT01795, Neuropeptide Y receptor type 5