General Information of the Compound
| Compound ID |
CP0204502
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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)pentane-1,5-diamine
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| Structure |
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| Formula |
C33H39ClFN3
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| Molecular Weight |
532.147
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| Canonical SMILES |
FC12CC3CC(CC(C1)c1ccccc31)(C2)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C33H39ClFN3/c34-24-12-13-28-30(16-24)38-29-11-5-4-10-27(29)31(28)36-14-6-1-7-15-37-33-19-22-17-32(35,21-33)18-23(20-33)26-9-3-2-8-25(22)26/h2-3,8-9,12-13,16,22-23,37H,1,4-7,10-11,14-15,17-21H2,(H,36,38)
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| InChIKey |
KGFCDQGKQARIBX-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