General Information of the Compound
| Compound ID |
CP0360381
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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)-4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butanamide
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| Structure |
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| Formula |
C32H36ClFN4O
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| Molecular Weight |
547.118
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| Canonical SMILES |
NC12CC3CC(F)(CC(C1)c1cc(NC(=O)CCCNc4c5CCCCc5nc5cc(Cl)ccc45)ccc31)C2
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| InChI |
InChI=1S/C32H36ClFN4O/c33-21-7-9-25-28(12-21)38-27-5-2-1-4-24(27)30(25)36-11-3-6-29(39)37-22-8-10-23-19-14-31(34)15-20(26(23)13-22)17-32(35,16-19)18-31/h7-10,12-13,19-20H,1-6,11,14-18,35H2,(H,36,38)(H,37,39)
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| InChIKey |
KYDRQPDEAFLWHH-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