General Information of the Compound
| Compound ID |
CP0197121
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| Compound Name |
3'N-(2-hydroxyethyl)-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 |
C31H30FN3O4
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| Molecular Weight |
527.596
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| Canonical SMILES |
OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C31H30FN3O4/c32-26-7-3-2-6-25(26)29(38)34-24-11-9-21(10-12-24)30(39)35-17-15-31(19-22-5-1-4-8-27(22)35)14-13-23(20-31)28(37)33-16-18-36/h1-12,20,36H,13-19H2,(H,33,37)(H,34,38)
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| InChIKey |
IJRNFQWYGRIIJZ-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