General Information of the Compound
| Compound ID |
CP0279196
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| Compound Name |
US8680275, 7
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| Structure |
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| Formula |
C23H25N5O
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| Molecular Weight |
387.487
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-n1cccc1
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| InChI |
InChI=1S/C23H25N5O/c1-16-13-17(2)25-23(24-16)28-14-18-9-12-27(15-21(18)28)22(29)19-7-3-4-8-20(19)26-10-5-6-11-26/h3-8,10-11,13,18,21H,9,12,14-15H2,1-2H3
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| InChIKey |
XBMJYTBILCSPGW-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