General Information of the Compound
| Compound ID |
CP0573322
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| Compound Name |
N-[[4-(difluoromethoxy)phenyl]methyl]-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-amine
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| Structure |
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| Formula |
C19H16F2N4OS
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| Molecular Weight |
386.427
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(OC(F)F)cc3)ncnc21
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| InChI |
InChI=1S/C19H16F2N4OS/c1-10-7-11(2)25-18-14(10)15-16(27-18)17(24-9-23-15)22-8-12-3-5-13(6-4-12)26-19(20)21/h3-7,9,19H,8H2,1-2H3,(H,22,23,24)
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| InChIKey |
AOKUPAOARJYWMG-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