General Information of the Compound
| Compound ID |
CP0450739
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| Compound Name |
US9090618, ZA29
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| Structure |
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| Formula |
C24H35N5O3
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| Molecular Weight |
441.576
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| Canonical SMILES |
COC(=O)\N=c1/n(CC(N)=O)c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
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| InChI |
InChI=1S/C24H35N5O3/c1-32-24(31)26-23-28(17-22(25)30)20-11-7-8-12-21(20)29(23)19-13-15-27(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-17H2,1H3,(H2,25,30)/b26-23+
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| InChIKey |
CKVOXRJOJNBFHZ-WNAAXNPUSA-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