General Information of the Compound
| Compound ID |
CP0281438
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| Compound Name |
3'N-(2-hydroxyethyl)-1-[4-(2-phenylphenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1'-(2'-cyclopentene)]-3'-carboxamide
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| Structure |
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| Formula |
C37H35N3O4
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| Molecular Weight |
585.704
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| Canonical SMILES |
OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C37H35N3O4/c41-23-21-38-34(42)29-18-19-37(25-29)20-22-40(33-13-7-4-10-28(33)24-37)36(44)27-14-16-30(17-15-27)39-35(43)32-12-6-5-11-31(32)26-8-2-1-3-9-26/h1-17,25,41H,18-24H2,(H,38,42)(H,39,43)
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| InChIKey |
OOKXWTMZQKFFDB-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