General Information of the Compound
| Compound ID |
CP0234793
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| Compound Name |
US8680275, 61
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| Structure |
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| Formula |
C23H22N4O
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| Molecular Weight |
370.456
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| Canonical SMILES |
Cc1ccnc(n1)N1CC2CN(CC12)C(=O)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C23H22N4O/c1-16-11-12-24-23(25-16)27-14-18-13-26(15-21(18)27)22(28)20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-12,18,21H,13-15H2,1H3
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| InChIKey |
DJPBNQLBPNZGFT-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