General Information of the Compound
| Compound ID |
CP0512075
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| Compound Name |
US9018211, 20
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2)CC1
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| InChI |
InChI=1S/C24H27N3O4/c1-30-23-13-18(3-4-19(23)14-25)22(28)15-27-10-8-26(9-11-27)7-6-17-2-5-21-20(12-17)16-31-24(21)29/h2-5,12-13,22,28H,6-11,15-16H2,1H3
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| InChIKey |
XIZPZXOLRNGWLR-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