General Information of the Compound
| Compound ID |
CP0479210
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| Compound Name |
US10336717, Compound 61
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| Structure |
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| Formula |
C30H24N4O
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| Molecular Weight |
456.549
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21Cc2cccc3cccc(C1)c23)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C30H24N4O/c1-34-28(32)33-30(35-34)26-14-22(21-8-2-5-19(13-21)18-31)11-12-23(26)15-29(30)16-24-9-3-6-20-7-4-10-25(17-29)27(20)24/h2-14H,15-17H2,1H3,(H2,32,33)
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| InChIKey |
AGQAGAZDTWQTID-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