General Information of the Compound
| Compound ID |
CP0490108
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| Compound Name |
US9133168, Example 11d
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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 |
CN1CCC2(CN(C(=O)Cc3nc(cc(=O)[nH]3)N3CCOCC3)c3ccccc23)CC1
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| InChI |
InChI=1S/C23H29N5O3/c1-26-8-6-23(7-9-26)16-28(18-5-3-2-4-17(18)23)22(30)14-19-24-20(15-21(29)25-19)27-10-12-31-13-11-27/h2-5,15H,6-14,16H2,1H3,(H,24,25,29)
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| InChIKey |
BGAALLLLASCLJI-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