General Information of the Compound
| Compound ID |
CP0428378
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| Compound Name |
US9447038, 73
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| Structure |
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| Formula |
C30H37ClN2O5
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| Molecular Weight |
541.088
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| Canonical SMILES |
Cc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C30H37ClN2O5/c1-21-17-23(7-12-27(21)38-16-15-33-28(34)13-14-29(33)35)20-32(19-22-5-3-2-4-6-22)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,22,26H,2-6,13-16,18-20H2,1H3,(H,36,37)
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| InChIKey |
MLOXODPCDBYBBP-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