General Information of the Compound
| Compound ID |
CP0882242
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| Compound Name |
US9120797, 46
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| Structure |
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| Formula |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1
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| InChI |
InChI=1S/C26H31N3O2/c1-29(2)26(18-9-5-4-6-10-18)15-13-25(14-16-26)23-20(17-22(28-25)24(30)31-3)19-11-7-8-12-21(19)27-23/h4-12,22,27-28H,13-17H2,1-3H3
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| InChIKey |
VYEYXSZSUUINMA-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