General Information of the Compound
| Compound ID |
CP0495098
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| Compound Name |
2-(4-amino-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-2-methylpropan-1-ol
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| Structure |
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| Formula |
C19H22N4O
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| Molecular Weight |
322.412
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| Canonical SMILES |
CC(C)(CO)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C19H22N4O/c1-19(2,10-24)12-6-7-14-13(8-12)16-15(22-14)5-3-4-11-9-21-18(20)23-17(11)16/h6-9,22,24H,3-5,10H2,1-2H3,(H2,20,21,23)
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| InChIKey |
DLIAYYLDNAERTP-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