General Information of the Compound
| Compound ID |
CP0494497
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| Compound Name |
N-(2-chloro-4-methoxyphenyl)-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-amine
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| Structure |
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| Formula |
C20H22ClN5O
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| Molecular Weight |
383.883
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| Canonical SMILES |
CCC(CC)n1ccc2c(Nc3ccc(OC)cc3Cl)nc3ccnn3c12
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| InChI |
InChI=1S/C20H22ClN5O/c1-4-13(5-2)25-11-9-15-19(24-18-8-10-22-26(18)20(15)25)23-17-7-6-14(27-3)12-16(17)21/h6-13H,4-5H2,1-3H3,(H,23,24)
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| InChIKey |
NLJDWTCQXANWIX-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