General Information of the Compound
| Compound ID |
CP0480896
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| Compound Name |
US9428500, 51
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| Structure |
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| Formula |
C36H32N4O3
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| Molecular Weight |
568.677
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| Canonical SMILES |
COc1cc(C(=O)c2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C36H32N4O3/c1-39-16-18-40(19-17-39)26-11-8-23(9-12-26)25-10-13-31-29(20-25)34-27(14-15-37-36(34)38-31)28-21-32(41)30(22-33(28)43-2)35(42)24-6-4-3-5-7-24/h3-15,20-22,41H,16-19H2,1-2H3,(H,37,38)
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| InChIKey |
LYUXIIHQTPQRTM-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