General Information of the Compound
Compound ID |
CP0420318
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Compound Name |
(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]-4-methylpentanamide
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Structure |
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Formula |
C38H58N12O8
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Molecular Weight |
810.958
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Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=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/C38H58N12O8/c1-21(2)18-30(35(57)47-27(6-4-16-44-37(40)41)33(55)49-29(32(39)54)19-23-8-12-25(52)13-9-23)50-34(56)28(7-5-17-45-38(42)43)48-36(58)31(46-22(3)51)20-24-10-14-26(53)15-11-24/h8-15,21,27-31,52-53H,4-7,16-20H2,1-3H3,(H2,39,54)(H,46,51)(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H4,40,41,44)(H4,42,43,45)/t27-,28-,29-,30-,31-/m0/s1
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InChIKey |
RMPKMDWFHGGGRV-QKUYTOGTSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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