General Information of the Compound
| Compound ID |
CP0486393
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| Compound Name |
3-Chloro-N-[3-(2-{[5-(2-chloro-phenyl)-furan-2-ylmethyl]-amino}-quinolin-8-yloxy)-propyl]-benzamide
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| Structure |
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| Formula |
C30H25Cl2N3O3
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| Molecular Weight |
546.454
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| Canonical SMILES |
Clc1cccc(c1)C(=O)NCCCOc1cccc2ccc(NCc3ccc(o3)-c3ccccc3Cl)nc12
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| InChI |
InChI=1S/C30H25Cl2N3O3/c31-22-8-3-7-21(18-22)30(36)33-16-5-17-37-27-11-4-6-20-12-15-28(35-29(20)27)34-19-23-13-14-26(38-23)24-9-1-2-10-25(24)32/h1-4,6-15,18H,5,16-17,19H2,(H,33,36)(H,34,35)
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| InChIKey |
LABXCLZSSDAEEV-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