General Information of the Compound
| Compound ID |
CP0503834
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| Compound Name |
US9133168, Example 23d
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| Structure |
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
Cn1c(CC(=O)N2CC3(CCNCC3)c3ccccc23)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C23H29N5O3/c1-26-19(25-20(15-21(26)29)27-10-12-31-13-11-27)14-22(30)28-16-23(6-8-24-9-7-23)17-4-2-3-5-18(17)28/h2-5,15,24H,6-14,16H2,1H3
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| InChIKey |
MKQNVZLABQSHEH-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