General Information of the Compound
| Compound ID |
CP0559766
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| Compound Name |
US10336717, Compound 474
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(NC(C)=O)N(C)C2=O)C#CC2CC2)CC1
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| InChI |
InChI=1S/C25H29N3O3/c1-16(29)26-23-27-25(22(30)28(23)2)21-14-18(7-6-17-4-5-17)8-9-19(21)15-24(25)12-10-20(31-3)11-13-24/h8-9,14,17,20H,4-5,10-13,15H2,1-3H3,(H,26,27,29)
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| InChIKey |
LJKLWLCNANKZDV-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