General Information of the Compound
| Compound ID |
CP0484865
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| Compound Name |
US9212153, 264,Ex. 217
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)NC2=O)C#CC2CC2)CC1
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| InChI |
InChI=1S/C22H25N3O2/c1-27-17-8-10-21(11-9-17)13-16-7-6-15(5-4-14-2-3-14)12-18(16)22(21)19(26)24-20(23)25-22/h6-7,12,14,17H,2-3,8-11,13H2,1H3,(H3,23,24,25,26)
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| InChIKey |
CCULSGKAHLHGMO-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