General Information of the Compound
| Compound ID |
CP0965067
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| Compound Name |
(R)-N-((R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-(3,3-diphenylacrylamido)-5-guanidinopentanamide
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| Structure |
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| Formula |
C32H35N7O3
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| Molecular Weight |
565.678
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| Canonical SMILES |
N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C32H35N7O3/c33-30(41)28(18-23-20-37-26-15-8-7-14-24(23)26)39-31(42)27(16-9-17-36-32(34)35)38-29(40)19-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-15,19-20,27-28,37H,9,16-18H2,(H2,33,41)(H,38,40)(H,39,42)(H4,34,35,36)/t27-,28-/m1/s1
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| InChIKey |
AFCJWUBFGQMXMR-VSGBNLITSA-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: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2