General Information of the Compound
| Compound ID |
CP0463173
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| Compound Name |
US9163013, 3
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| Structure |
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| Formula |
C22H24Cl2N4O2
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| Molecular Weight |
447.366
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| Canonical SMILES |
COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1
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| InChI |
InChI=1S/C22H24Cl2N4O2/c1-30-17-4-5-20-18(11-17)21(27-26-20)22(29)25-12-14-6-8-28(9-7-14)13-15-2-3-16(23)10-19(15)24/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,25,29)(H,26,27)
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| InChIKey |
YCTKWXLLTRJPAD-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