General Information of the Compound
| Compound ID |
CP0243150
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| Compound Name |
4-[5-(3-methoxypropoxy)pyridin-3-yl]-1'-methylspiro[5,13,17-triazatetracyclo[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 |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
COCCCOc1cncc(c1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CN(C)C1
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| InChI |
InChI=1S/C26H29N5O3/c1-31-14-26(15-31)13-29-25(32)22-19-5-4-16-11-28-21(9-20(16)23(19)30-24(22)26)17-8-18(12-27-10-17)34-7-3-6-33-2/h8-12,30H,3-7,13-15H2,1-2H3,(H,29,32)
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| InChIKey |
GSLSEAKPERDTFS-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