General Information of the Compound
| Compound ID |
CP0486891
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1-(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)urea
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| Structure |
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| Formula |
C25H31ClFN5O3
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| Molecular Weight |
504.006
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| Canonical SMILES |
CN1CCN(CCCN(C2CCc3ccc(cc3C2)[N+]([O-])=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C25H31ClFN5O3/c1-29-11-13-30(14-12-29)9-2-10-31(25(33)28-20-5-8-24(27)23(26)17-20)21-6-3-18-4-7-22(32(34)35)16-19(18)15-21/h4-5,7-8,16-17,21H,2-3,6,9-15H2,1H3,(H,28,33)
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| InChIKey |
KDICVURCXPMQFP-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