General Information of the Compound
| Compound ID |
CP0486721
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| Compound Name |
N-[2-[2-aminoethyl-[2-[[5-[[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]amino]-5-oxopentanoyl]amino]ethyl]amino]ethyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]pentanediamide
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| Structure |
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| Formula |
C70H88N14O10
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| Molecular Weight |
1285.562
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| Canonical SMILES |
NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C70H88N14O10/c71-39-44-84(45-42-74-59(87)27-13-29-61(89)82-69(72)76-40-15-25-57(65(91)78-47-49-31-35-55(85)36-32-49)80-67(93)63(51-17-5-1-6-18-51)52-19-7-2-8-20-52)46-43-75-60(88)28-14-30-62(90)83-70(73)77-41-16-26-58(66(92)79-48-50-33-37-56(86)38-34-50)81-68(94)64(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h1-12,17-24,31-38,57-58,63-64,85-86H,13-16,25-30,39-48,71H2,(H,74,87)(H,75,88)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H3,72,76,82,89)(H3,73,77,83,90)/t57-,58-/m1/s1
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| InChIKey |
VTTARGWCWRDOCN-YZCGSYMESA-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