General Information of the Compound
| Compound ID |
CP0169211
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| Compound Name |
4-(4-methoxyphenyl)-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 |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2n1
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| InChI |
InChI=1S/C23H23N5O2/c1-28-11-23(12-28)10-25-22(29)17-16-8-5-14-9-24-21(13-3-6-15(30-2)7-4-13)27-18(14)19(16)26-20(17)23/h3-4,6-7,9,26H,5,8,10-12H2,1-2H3,(H,25,29)
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| InChIKey |
JVYQTNRDLDLKCV-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