General Information of the Compound
| Compound ID |
CP0056752
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| Compound Name |
3'N-(2-dimethylaminoethyl)-1-[4-(5-fluoro-2-methylphenylcarboxamido)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 |
C34H37FN4O3
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| Molecular Weight |
568.693
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| Canonical SMILES |
CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C34H37FN4O3/c1-23-8-11-27(35)20-29(23)32(41)37-28-12-9-24(10-13-28)33(42)39-18-16-34(21-25-6-4-5-7-30(25)39)15-14-26(22-34)31(40)36-17-19-38(2)3/h4-13,20,22H,14-19,21H2,1-3H3,(H,36,40)(H,37,41)
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| InChIKey |
DDDKWJJIQKFHHH-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