General Information of the Compound
| Compound ID |
CP0556405
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| Compound Name |
US9212153, 229,Ex. 186
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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 |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CCC3)C2=O)C#CC2CC2)CC1
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| InChI |
InChI=1S/C26H31N3O2/c1-31-21-11-13-25(14-12-21)16-19-10-9-18(8-7-17-5-6-17)15-22(19)26(25)23(30)29(24(27)28-26)20-3-2-4-20/h9-10,15,17,20-21H,2-6,11-14,16H2,1H3,(H2,27,28)
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| InChIKey |
NBUINRFQGBDGJT-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