General Information of the Compound
| Compound ID |
CP0856297
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| Compound Name |
(R)-Ndelta-(4-Aminobutyl)aminocarbonyl-Nalpha-diphenylacetyl-(4-ureidomethylbenzyl)ornithinamidetris(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C33H40F3N5O6
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| Molecular Weight |
659.706
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| Canonical SMILES |
NCCCCNC(=O)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C31H39N5O4.C2HF3O2/c32-19-7-8-20-33-31(40)34-21-9-14-27(29(38)35-22-23-15-17-26(37)18-16-23)36-30(39)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25;3-2(4,5)1(6)7/h1-6,10-13,15-18,27-28,37H,7-9,14,19-22,32H2,(H,35,38)(H,36,39)(H2,33,34,40);(H,6,7)/t27-;/m1./s1
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| InChIKey |
MKLMMDXOWCKMMH-HZPIKELBSA-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