General Information of the Compound
| Compound ID |
CP0310194
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| Compound Name |
4-(4-methoxyphenyl)-1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
COc1ccc(cc1)-c1cc2-c3[nH]c4CC5(CN(C)C5)NC(=O)c4c3CCc2cn1
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| InChI |
InChI=1S/C24H24N4O2/c1-28-12-24(13-28)10-20-21(23(29)27-24)17-8-5-15-11-25-19(9-18(15)22(17)26-20)14-3-6-16(30-2)7-4-14/h3-4,6-7,9,11,26H,5,8,10,12-13H2,1-2H3,(H,27,29)
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| InChIKey |
PCOZFCUKHHNFQO-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