General Information of the Compound
| Compound ID |
CP0397504
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| Compound Name |
2-Biphenyl-4-yl-N-{1-(7-hydroxy-1,3,4,5-tetrahydro-benzo[c]azepine-2-carbonyl)-4-[N'-(3-phenyl-propyl)-guanidino]-butyl}-acetamide
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| Structure |
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| Formula |
C39H45N5O3
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| Molecular Weight |
631.821
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| Canonical SMILES |
Oc1ccc2CN(CCCc2c1)C(=O)C(CCCNC(=N)NCCCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C39H45N5O3/c40-39(41-23-7-12-29-10-3-1-4-11-29)42-24-8-16-36(38(47)44-25-9-15-33-27-35(45)22-21-34(33)28-44)43-37(46)26-30-17-19-32(20-18-30)31-13-5-2-6-14-31/h1-6,10-11,13-14,17-22,27,36,45H,7-9,12,15-16,23-26,28H2,(H,43,46)(H3,40,41,42)
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| InChIKey |
MDVBCKOUBZFSMR-UHFFFAOYSA-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: PT01795, Neuropeptide Y receptor type 5