General Information of the Compound
| Compound ID |
CP0006843
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| Compound Name |
US9777008, Compound 263
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| Structure |
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| Formula |
C31H34N4O3
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| Molecular Weight |
510.638
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(CC(=O)N3CCCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C31H34N4O3/c36-27(19-33-15-12-23-6-1-2-7-26(23)18-33)21-38-28-9-5-8-24(16-28)25-10-11-29-30(17-25)35(22-32-29)20-31(37)34-13-3-4-14-34/h1-2,5-11,16-17,22,27,36H,3-4,12-15,18-21H2
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| InChIKey |
QEMFANCDUKFSHM-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