General Information of the Compound
| Compound ID |
CP0443682
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| Compound Name |
US8993586, 30
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| Structure |
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
COc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
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| InChI |
InChI=1S/C24H27N5O3/c1-15(2)29-20-18(14-26-29)13-24(27-21(20)30)7-10-28(11-8-24)23(31)17-5-4-16-6-9-25-22(32-3)19(16)12-17/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,27,30)
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| InChIKey |
NTWKKBDOFAUBIA-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