General Information of the Compound
| Compound ID |
CP0354722
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| Compound Name |
5-[(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)pentanamide
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| Structure |
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| Formula |
C33H37ClFN3O
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| Molecular Weight |
546.13
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| Canonical SMILES |
FC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)CCCCNc1c2CCCCc2nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C33H37ClFN3O/c34-23-12-13-27-29(15-23)37-28-10-4-3-9-26(28)31(27)36-14-6-5-11-30(39)38-33-18-21-16-32(35,20-33)17-22(19-33)25-8-2-1-7-24(21)25/h1-2,7-8,12-13,15,21-22H,3-6,9-11,14,16-20H2,(H,36,37)(H,38,39)
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| InChIKey |
QCLKADUVPRHWRU-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