General Information of the Compound
| Compound ID |
CP0860632
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| Compound Name |
1-[4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-phenyl]-3-quinolin-8-yl-urea
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| Structure |
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| Formula |
C25H20N4O3
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| Molecular Weight |
424.46
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| Canonical SMILES |
O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1)Nc1cccc2cccnc12
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| InChI |
InChI=1S/C25H20N4O3/c30-23-20-15-6-7-16(13-15)21(20)24(31)29(23)18-10-8-17(9-11-18)27-25(32)28-19-5-1-3-14-4-2-12-26-22(14)19/h1-12,15-16,20-21H,13H2,(H2,27,28,32)/t15-,16+,20-,21+
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| InChIKey |
BPXAFNCWBAHOMU-LPTDTENNSA-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