General Information of the Compound
| Compound ID |
CP0442491
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| Compound Name |
US9212153, 147,Ex. 111
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CCCC2)CC1
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| InChI |
InChI=1S/C25H31N3O2/c1-28-22(29)25(27-23(28)26)21-15-18(8-7-17-5-3-4-6-17)9-10-19(21)16-24(25)13-11-20(30-2)12-14-24/h9-10,15,17,20H,3-6,11-14,16H2,1-2H3,(H2,26,27)
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| InChIKey |
PDCCWNKVLSGXOD-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