General Information of the Compound
| Compound ID |
CP0506847
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| Compound Name |
US9212153, 106,Ex. 72
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| Structure |
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| Formula |
C26H26N4O
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| Molecular Weight |
410.521
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1
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| InChI |
InChI=1S/C26H26N4O/c1-30-24(27)29-26(31-30)23-15-20(22-7-4-14-28-17-22)8-9-21(23)16-25(26)12-10-18-5-2-3-6-19(18)11-13-25/h2-9,14-15,17H,10-13,16H2,1H3,(H2,27,29)
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| InChIKey |
KZZBUPSCDNYBQX-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