General Information of the Compound
| Compound ID |
CP0485283
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| Compound Name |
1-(3-chloro-4-fluorophenyl)-3-{7-[(ethylcarbamoyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl}-3-[3-(4-methylpiperazin-1-yl)propyl]urea
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| Structure |
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| Formula |
C28H38ClFN6O2
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| Molecular Weight |
545.103
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| Canonical SMILES |
CCNC(=O)Nc1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C28H38ClFN6O2/c1-3-31-27(37)32-22-7-5-20-6-9-24(18-21(20)17-22)36(12-4-11-35-15-13-34(2)14-16-35)28(38)33-23-8-10-26(30)25(29)19-23/h5,7-8,10,17,19,24H,3-4,6,9,11-16,18H2,1-2H3,(H,33,38)(H2,31,32,37)
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| InChIKey |
YUYSYYPQUAIDDZ-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