General Information of the Compound
| Compound ID |
CP0580023
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| Compound Name |
11,13-dimethyl-N-(3-pyridin-4-ylcyclobutyl)-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 |
C20H19N5S
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| Molecular Weight |
361.474
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NC3CC(C3)c3ccncc3)ncnc21
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| InChI |
InChI=1S/C20H19N5S/c1-11-7-12(2)24-20-16(11)17-18(26-20)19(23-10-22-17)25-15-8-14(9-15)13-3-5-21-6-4-13/h3-7,10,14-15H,8-9H2,1-2H3,(H,22,23,25)
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| InChIKey |
YOEPMPSERQUIPV-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