General Information of the Compound
| Compound ID |
CP0483354
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| Compound Name |
US9428500, 1
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| Structure |
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| Formula |
C22H21ClN4
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| Molecular Weight |
376.891
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Cl)c3c2c1
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| InChI |
InChI=1S/C22H21ClN4/c1-26-10-12-27(13-11-26)17-5-2-15(3-6-17)16-4-7-20-18(14-16)21-19(23)8-9-24-22(21)25-20/h2-9,14H,10-13H2,1H3,(H,24,25)
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| InChIKey |
ZUQQEJBCJAGIIZ-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