General Information of the Compound
| Compound ID |
CP0529524
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| Compound Name |
N-[12-(5-chloro-2-methoxyanilino)-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]-2-methylbutanamide
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| Structure |
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| Formula |
C21H23ClN4O2S2
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| Molecular Weight |
463.028
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| Canonical SMILES |
CCC(C)C(=O)Nc1nc2CCCc3sc(Nc4cc(Cl)ccc4OC)nc3-c2s1
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| InChI |
InChI=1S/C21H23ClN4O2S2/c1-4-11(2)19(27)26-21-23-13-6-5-7-16-17(18(13)30-21)25-20(29-16)24-14-10-12(22)8-9-15(14)28-3/h8-11H,4-7H2,1-3H3,(H,24,25)(H,23,26,27)
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| InChIKey |
WZWUXJONXLIUTM-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