General Information of the Compound
| Compound ID |
CP0354724
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| Compound Name |
4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-(12-fluoro-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)butanamide
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| Structure |
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| Formula |
C32H35ClFN3O
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| Molecular Weight |
532.103
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| Canonical SMILES |
FC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C32H35ClFN3O/c33-22-11-12-26-28(14-22)36-27-9-4-3-8-25(27)30(26)35-13-5-10-29(38)37-32-17-20-15-31(34,19-32)16-21(18-32)24-7-2-1-6-23(20)24/h1-2,6-7,11-12,14,20-21H,3-5,8-10,13,15-19H2,(H,35,36)(H,37,38)
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| InChIKey |
TYMUTPUANLZRMT-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