General Information of the Compound
| Compound ID |
CP0568574
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| Compound Name |
4-(4-amino-3,5,13-triazatetracyclo[10.7.0.02,7.014,19]nonadeca-1(12),2,4,6,14(19),15,17-heptaen-17-yl)-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
CC(C)(O)C#Cc1ccc2[nH]c3CCCCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C21H22N4O/c1-21(2,26)10-9-13-7-8-16-15(11-13)18-17(24-16)6-4-3-5-14-12-23-20(22)25-19(14)18/h7-8,11-12,24,26H,3-6H2,1-2H3,(H2,22,23,25)
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| InChIKey |
NLMUWPSPDSKZJC-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