General Information of the Compound
| Compound ID |
CP0495332
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| Compound Name |
6-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)-2-oxa-6-azaspiro[3.3]heptane
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| Structure |
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| Formula |
C16H16N4OS
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| Molecular Weight |
312.398
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC2(COC2)C1
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| InChI |
InChI=1S/C16H16N4OS/c1-9-3-10(2)19-15-11(9)12-13(22-15)14(18-8-17-12)20-4-16(5-20)6-21-7-16/h3,8H,4-7H2,1-2H3
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| InChIKey |
IEJIRPHETNSCOC-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