General Information of the Compound
| Compound ID |
CP0556398
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| Compound Name |
US9212153, 146,Ex. 110
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC(C)(C)C)CC1
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| InChI |
InChI=1S/C24H31N3O2/c1-22(2,3)11-8-16-6-7-17-15-23(12-9-18(29-5)10-13-23)24(19(17)14-16)20(28)27(4)21(25)26-24/h6-7,14,18H,9-10,12-13,15H2,1-5H3,(H2,25,26)
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| InChIKey |
ZGVRPROAMZUMQG-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