General Information of the Compound
| Compound ID |
CP0450151
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| Compound Name |
US8853203, 99c
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| Structure |
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| Formula |
C24H21N5O2
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| Molecular Weight |
411.465
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| Canonical SMILES |
Oc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C24H21N5O2/c30-23-7-6-16(11-26-23)17-2-1-3-19-18(17)8-9-29-21(19)10-22(25-12-24(29)31)28-13-20(27-14-28)15-4-5-15/h1-3,6-7,10-11,13-15H,4-5,8-9,12H2,(H,26,30)
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| InChIKey |
QGVXCAFZGFGULT-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