General Information of the Compound
| Compound ID |
CP0013573
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| Compound Name |
US9777008, Compound 249
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| Structure |
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| Formula |
C32H36N4O3
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| Molecular Weight |
524.665
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(CC(=O)N3CCCCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C32H36N4O3/c37-28(20-34-16-13-24-7-2-3-8-27(24)19-34)22-39-29-10-6-9-25(17-29)26-11-12-30-31(18-26)36(23-33-30)21-32(38)35-14-4-1-5-15-35/h2-3,6-12,17-18,23,28,37H,1,4-5,13-16,19-22H2
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| InChIKey |
KJWRJERYQBHOIA-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