General Information of the Compound
| Compound ID |
CP0014298
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| Compound Name |
US9777008, Compound 253
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ncc2ccn(C3CCNCC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H33N5O2/c35-26(19-33-14-10-21-4-1-2-5-24(21)18-33)20-36-27-7-3-6-22(16-27)28-31-17-23-11-15-34(29(23)32-28)25-8-12-30-13-9-25/h1-7,11,15-17,25-26,30,35H,8-10,12-14,18-20H2
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| InChIKey |
SBFMFZNHNVQTIF-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