General Information of the Compound
| Compound ID |
CP0553314
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| Compound Name |
CHEMBL2204062
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| Formula |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
CN(C)CCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(C)c2)c1=O
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| InChI |
InChI=1S/C28H35N3O2/c1-20-8-7-9-21(18-20)19-25-26(29-28(33)31(27(25)32)17-16-30(2)3)24-14-12-23(13-15-24)22-10-5-4-6-11-22/h4-11,18,23-24H,12-17,19H2,1-3H3,(H,29,33)/t23-,24+
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| InChIKey |
QPXOMJKCKNKRPA-PSWAGMNNSA-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