General Information of the Compound
| Compound ID |
CP0074188
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| Compound Name |
4-(4-methoxyphenyl)spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
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| Structure |
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
COc1ccc(cc1)-c1ncc2CCc3c([nH]c4CC5(CC5)NC(=O)c34)-c2n1
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| InChI |
InChI=1S/C22H20N4O2/c1-28-14-5-2-12(3-6-14)20-23-11-13-4-7-15-17-16(24-19(15)18(13)25-20)10-22(8-9-22)26-21(17)27/h2-3,5-6,11,24H,4,7-10H2,1H3,(H,26,27)
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| InChIKey |
NGTDZYCIPFIDGW-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