General Information of the Compound
| Compound ID |
CP0096821
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| Compound Name |
CHEMBL99142
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc3c2O)CC1
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| InChI |
InChI=1S/C24H27N5O2/c1-17-25-22-18-7-3-4-8-19(18)26-23(22)24(30)29(17)16-13-27-11-14-28(15-12-27)20-9-5-6-10-21(20)31-2/h3-10,30H,11-16H2,1-2H3
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| InChIKey |
PTZPHMWEBRURCP-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