General Information of the Compound
| Compound ID |
CP0140205
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| Compound Name |
BPI-2009
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| Structure |
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| Formula |
C22H21N3O4
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| Molecular Weight |
391.427
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| Canonical SMILES |
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
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| InChI |
InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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| InChIKey |
QQLKULDARVNMAL-UHFFFAOYSA-N
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| CAS |
610798-31-7
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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