General Information of the Compound
| Compound ID |
CP0551373
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| Compound Name |
US8637507, C-68
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| Structure |
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| Formula |
C28H29N3O5
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| Molecular Weight |
487.556
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| Canonical SMILES |
CC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC2CCC(CC2)C(O)=O)nc1
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| InChI |
InChI=1S/C28H29N3O5/c1-18-17-31(28(34)30-22-5-3-2-4-6-22)24-13-9-20(15-25(24)35-18)21-10-14-26(29-16-21)36-23-11-7-19(8-12-23)27(32)33/h2-6,9-10,13-16,18-19,23H,7-8,11-12,17H2,1H3,(H,30,34)(H,32,33)
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| InChIKey |
PSLOZEYMGSBCBG-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