General Information of the Compound
| Compound ID |
CP0563831
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| Compound Name |
US10336717, Compound 476
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| Structure |
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| Formula |
C23H29N3O3
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| Molecular Weight |
395.503
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C2=CC(O)CC2)CC1
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| InChI |
InChI=1S/C23H29N3O3/c1-26-20(28)23(25-21(26)24)19-12-15(14-5-6-17(27)11-14)3-4-16(19)13-22(23)9-7-18(29-2)8-10-22/h3-4,11-12,17-18,27H,5-10,13H2,1-2H3,(H2,24,25)
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| InChIKey |
RTVDLYZFLHMNIS-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