General Information of the Compound
| Compound ID |
CP0521628
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| Compound Name |
US9212153, 191,Ex. 152
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C2CC2)CC1
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| InChI |
InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22)17-11-14(13-3-4-13)5-6-15(17)12-20(21)9-7-16(26-2)8-10-20/h5-6,11,13,16H,3-4,7-10,12H2,1-2H3,(H2,22,23)
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| InChIKey |
YWOOOFKOHLVWRU-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