General Information of the Compound
| Compound ID |
CP0486291
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| Compound Name |
US10100018, Example 35
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| Structure |
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| Formula |
C25H22ClNO4
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| Molecular Weight |
435.907
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
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| InChI |
InChI=1S/C25H22ClNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)
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| InChIKey |
QSIZRACEBIMNLS-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