General Information of the Compound
| Compound ID |
CP0154159
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| Compound Name |
2-[1-[4-(2-phenylphenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1'-(2'-cyclopentene)]-3-ylcarboxamido]acetic acid
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| Structure |
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| Formula |
C37H33N3O5
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| Molecular Weight |
599.687
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| Canonical SMILES |
OC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C37H33N3O5/c41-33(42)24-38-34(43)28-18-19-37(23-28)20-21-40(32-13-7-4-10-27(32)22-37)36(45)26-14-16-29(17-15-26)39-35(44)31-12-6-5-11-30(31)25-8-2-1-3-9-25/h1-17,23H,18-22,24H2,(H,38,43)(H,39,44)(H,41,42)
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| InChIKey |
JYKTYQLAXRWNPF-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