General Information of the Compound
| Compound ID |
CP0124543
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| Compound Name |
N-(10-amino-12-fluoro-4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)-5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentanamide
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| Structure |
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| Formula |
C33H38ClFN4O
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| Molecular Weight |
561.145
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| Canonical SMILES |
NC12CC3CC(F)(CC(C1)c1cc(NC(=O)CCCCNc4c5CCCCc5nc5cc(Cl)ccc45)ccc31)C2
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| InChI |
InChI=1S/C33H38ClFN4O/c34-22-8-10-26-29(13-22)39-28-6-2-1-5-25(28)31(26)37-12-4-3-7-30(40)38-23-9-11-24-20-15-32(35)16-21(27(24)14-23)18-33(36,17-20)19-32/h8-11,13-14,20-21H,1-7,12,15-19,36H2,(H,37,39)(H,38,40)
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| InChIKey |
YCQJXONOYVGKOF-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