General Information of the Compound
| Compound ID |
CP0397859
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| Compound Name |
10-(2-chloro-4-ethoxyphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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| Structure |
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| Formula |
C23H29ClN4O
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| Molecular Weight |
412.965
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| Canonical SMILES |
CCOc1ccc(-c2c(C)nn3c(NC(CC)CC)c4CCCc4nc23)c(Cl)c1
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| InChI |
InChI=1S/C23H29ClN4O/c1-5-15(6-2)25-22-18-9-8-10-20(18)26-23-21(14(4)27-28(22)23)17-12-11-16(29-7-3)13-19(17)24/h11-13,15,25H,5-10H2,1-4H3
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| InChIKey |
WKIYPWQTEXHYRP-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