General Information of the Compound
| Compound ID |
CP0515371
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| Compound Name |
US8853203, 36a
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cnc2N(C)CCOc2c1
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| InChI |
InChI=1S/C22H22N4O3/c1-25-8-9-29-20-10-14(12-24-22(20)25)17-11-18-15-4-3-5-19(28-2)16(15)6-7-26(18)21(27)13-23-17/h3-5,10-12H,6-9,13H2,1-2H3
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| InChIKey |
OOCGJICSMATBSN-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