General Information of the Compound
| Compound ID |
CP0291497
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| Compound Name |
4-[5-(2-methoxyethoxy)pyridin-3-yl]-1'-methylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
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| Structure |
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| Formula |
C24H26N6O3
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| Molecular Weight |
446.511
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| Canonical SMILES |
COCCOc1cncc(c1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2n1
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| InChI |
InChI=1S/C24H26N6O3/c1-30-12-24(13-30)11-27-23(31)18-17-4-3-14-9-26-22(29-19(14)20(17)28-21(18)24)15-7-16(10-25-8-15)33-6-5-32-2/h7-10,28H,3-6,11-13H2,1-2H3,(H,27,31)
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| InChIKey |
HFESUJIHZXOWFN-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