General Information of the Compound
| Compound ID |
CP0204503
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| Compound Name |
N-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N'-(12-fluoro-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)butane-1,4-diamine
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| Structure |
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| Formula |
C32H37ClFN3
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| Molecular Weight |
518.12
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| Canonical SMILES |
FC12CC3CC(CC(C1)c1ccccc31)(C2)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C32H37ClFN3/c33-23-11-12-27-29(15-23)37-28-10-4-3-9-26(28)30(27)35-13-5-6-14-36-32-18-21-16-31(34,20-32)17-22(19-32)25-8-2-1-7-24(21)25/h1-2,7-8,11-12,15,21-22,36H,3-6,9-10,13-14,16-20H2,(H,35,37)
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| InChIKey |
PFHHTCZAEAYBFZ-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