General Information of the Compound
| Compound ID |
CP0578447
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| Compound Name |
CHEMBL4850665
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
CC(C)=CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H29N5O3/c1-18(2)16-24(34)32-14-12-19(13-15-32)23-17-30-33-26(27(29)35)25(31-28(23)33)20-8-10-22(11-9-20)36-21-6-4-3-5-7-21/h3-11,16-17,19,31H,12-15H2,1-2H3,(H2,29,35)
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| InChIKey |
OXHYOFMGBWMXRM-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