General Information of the Compound
| Compound ID |
CP0519648
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| Compound Name |
US8993586, 22
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| Structure |
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| Formula |
C23H25N5O2
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| Molecular Weight |
403.486
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4cnccc4c3)NC(=O)c12
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| InChI |
InChI=1S/C23H25N5O2/c1-15(2)28-20-19(14-25-28)12-23(26-21(20)29)6-9-27(10-7-23)22(30)17-3-4-18-13-24-8-5-16(18)11-17/h3-5,8,11,13-15H,6-7,9-10,12H2,1-2H3,(H,26,29)
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| InChIKey |
YDCCEMINNAHUCT-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