General Information of the Compound
| Compound ID |
CP0515776
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| Compound Name |
1-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-methoxy-benzyl)-urea
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| Structure |
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| Formula |
C25H31N5O2
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| Molecular Weight |
433.556
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)NCc3ccc(OC)cc3)ccc2n1
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| InChI |
InChI=1S/C25H31N5O2/c1-4-29-11-13-30(14-12-29)24-15-18(2)22-16-20(7-10-23(22)28-24)27-25(31)26-17-19-5-8-21(32-3)9-6-19/h5-10,15-16H,4,11-14,17H2,1-3H3,(H2,26,27,31)
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| InChIKey |
NRJOWWZUDXWTQE-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