General Information of the Compound
| Compound ID |
CP0861471
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| Compound Name |
(S)-Nomega-(8-Amino-3,6-dioxaoctyl)aminocarbonyl-Nalpha-diphenylacetyl-(4-ureidomethylbenzyl)argininamidebis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C38H50F3N9O8
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| Molecular Weight |
817.867
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| Canonical SMILES |
NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C36H49N9O6.C2HF3O2/c37-17-20-50-22-23-51-21-19-41-36(49)45-34(38)40-18-7-12-30(32(46)42-24-26-13-15-27(16-14-26)25-43-35(39)48)44-33(47)31(28-8-3-1-4-9-28)29-10-5-2-6-11-29;3-2(4,5)1(6)7/h1-6,8-11,13-16,30-31H,7,12,17-25,37H2,(H,42,46)(H,44,47)(H3,39,43,48)(H4,38,40,41,45,49);(H,6,7)/t30-;/m0./s1
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| InChIKey |
FQCLJGUYWHTKFZ-CZCBIWLKSA-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: PT01909, Neuropeptide Y receptor type 4