General Information of the Compound
| Compound ID |
CP0495094
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| Compound Name |
N-[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)propan-2-yl]methanesulfonamide
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| Structure |
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| Formula |
C19H23N5O2S
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| Molecular Weight |
385.493
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| Canonical SMILES |
CC(C)(NS(C)(=O)=O)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C19H23N5O2S/c1-19(2,24-27(3,25)26)12-7-8-14-13(9-12)16-15(22-14)6-4-5-11-10-21-18(20)23-17(11)16/h7-10,22,24H,4-6H2,1-3H3,(H2,20,21,23)
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| InChIKey |
WWCBPZQPTVVVHF-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