General Information of the Compound
| Compound ID |
CP0903451
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| Compound Name |
(2S)-N-[(1S)-1-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanamide
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| Structure |
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| Formula |
C38H57N13O6
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| Molecular Weight |
791.959
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1
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| InChIKey |
RRTQSEOTMDLATK-PZBSVLGOSA-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: PT01795, Neuropeptide Y receptor type 5