General Information of the Compound
| Compound ID |
CP0105811
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| Compound Name |
3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(2-fluorophenylcarboxamido)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 |
C35H37FN4O3
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| Molecular Weight |
580.704
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| Canonical SMILES |
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12
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| InChI |
InChI=1S/C35H37FN4O3/c36-30-9-3-2-8-29(30)33(42)38-28-13-11-25(12-14-28)34(43)40-21-17-35(23-26-7-1-4-10-31(26)40)16-15-27(24-35)32(41)37-18-22-39-19-5-6-20-39/h1-4,7-14,24H,5-6,15-23H2,(H,37,41)(H,38,42)
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| InChIKey |
UCNDRGGJCFHDEO-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