General Information of the Compound
| Compound ID |
CP0861480
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| Compound Name |
(2S)-Nomega-[(6-Aminohexyl)aminocarbonyl]-N-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N'-[2-(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)piperazin-1-yl]ethyl}cyclopentyl)acetyl]argininamide tris(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C58H72F3N13O9
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| Molecular Weight |
1152.29
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| Canonical SMILES |
NCCCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C56H71N13O7.C2HF3O2/c57-29-15-1-2-16-30-61-53(74)64-52(58)60-31-17-26-46(51(73)59-32-33-67-54(75)68(40-18-5-3-6-19-40)69(55(67)76)41-20-7-4-8-21-41)62-47(70)38-56(27-13-14-28-56)39-48(71)65-34-36-66(37-35-65)49-42-22-9-10-23-43(42)50(72)63-45-25-12-11-24-44(45)49;3-2(4,5)1(6)7/h3-12,18-25,46,49H,1-2,13-17,26-39,57H2,(H,59,73)(H,62,70)(H,63,72)(H4,58,60,61,64,74);(H,6,7)/t46-,49?;/m0./s1
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| InChIKey |
FQDXWQBSEAPLCI-KZEFQRMPSA-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