General Information of the Compound
| Compound ID |
CP0561991
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| Compound Name |
CHEMBL4863138
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| Formula |
C27H25N5O4
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| Molecular Weight |
483.528
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| Canonical SMILES |
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(CC1)C(=O)C#C
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| InChI |
InChI=1S/C27H25N5O4/c1-3-23(33)31-14-12-17(13-15-31)20-16-29-32-25(26(28)34)24(30-27(20)32)18-8-10-19(11-9-18)36-22-7-5-4-6-21(22)35-2/h1,4-11,16-17,30H,12-15H2,2H3,(H2,28,34)
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| InChIKey |
ODXYXCGGMIWDQX-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