General Information of the Compound
| Compound ID |
CP0154509
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| Compound Name |
3'N-(3-dimethylaminopropyl)-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 |
C40H42N4O3
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| Molecular Weight |
626.801
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| Canonical SMILES |
CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
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| InChIKey |
AZCBEWVFZCGQLB-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