General Information of the Compound
| Compound ID |
CP0464817
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| Compound Name |
US9212187, 42
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| Structure |
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| Formula |
C29H32N4O3
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| Molecular Weight |
484.6
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| Canonical SMILES |
CN(CCN(CCCOc1ccc2n(C)c(=O)ccc2c1)Cc1ccncc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H32N4O3/c1-31(29(35)24-7-4-3-5-8-24)18-19-33(22-23-13-15-30-16-14-23)17-6-20-36-26-10-11-27-25(21-26)9-12-28(34)32(27)2/h3-5,7-16,21H,6,17-20,22H2,1-2H3
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| InChIKey |
FKNOZWSNIUXEJB-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