General Information of the Compound
| Compound ID |
CP0403847
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| Compound Name |
(2R)-5-[[amino-(2-aminoethylcarbamoylamino)methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C34H39F6N7O8
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| Molecular Weight |
787.715
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C30H37N7O4.2C2HF3O2/c31-17-19-34-30(41)37-29(32)33-18-7-12-25(27(39)35-20-21-13-15-24(38)16-14-21)36-28(40)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23;2*3-2(4,5)1(6)7/h1-6,8-11,13-16,25-26,38H,7,12,17-20,31H2,(H,35,39)(H,36,40)(H4,32,33,34,37,41);2*(H,6,7)/t25-;;/m1../s1
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| InChIKey |
YCHTXLUGNXQPOD-KHZPMNTOSA-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