General Information of the Compound
| Compound ID |
CP0403793
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| Compound Name |
N-[5-(diaminomethylideneamino)-1-(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-oxopentan-2-yl]-2,2-diphenylacetamide
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| Structure |
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| Formula |
C30H35N5O3
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| Molecular Weight |
513.642
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1
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| InChI |
InChI=1S/C30H35N5O3/c31-30(32)33-17-7-14-26(29(38)35-18-8-13-23-19-25(36)16-15-24(23)20-35)34-28(37)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,15-16,19,26-27,36H,7-8,13-14,17-18,20H2,(H,34,37)(H4,31,32,33)
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| InChIKey |
APXQNCYYJXLPGT-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: PT01795, Neuropeptide Y receptor type 5