General Information of the Compound
| Compound ID |
CP0574381
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| Compound Name |
CHEMBL4557885
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| Formula |
C29H24N2O7
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| Molecular Weight |
512.518
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C29H24N2O7/c1-36-21-12-8-19(9-13-21)27(33)25-26(22-4-2-3-5-24(22)37-17-15-32)31(29(35)28(25)34)20-10-6-18(7-11-20)23-14-16-38-30-23/h2-14,16,26,32,34H,15,17H2,1H3
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| InChIKey |
VUUMTNDPPWQPTP-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