General Information of the Compound
| Compound ID |
CP0163494
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| Compound Name |
(E)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
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| Structure |
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| Formula |
C25H23N5O2S
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| Molecular Weight |
457.559
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| Canonical SMILES |
CNC(=O)\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C25H23N5O2S/c1-15-4-3-5-19(12-15)30-25(32)29-18-9-6-16(7-10-18)20-14-33-23-17(8-11-21(31)27-2)13-28-24(26)22(20)23/h3-14H,1-2H3,(H2,26,28)(H,27,31)(H2,29,30,32)/b11-8+
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| InChIKey |
HCKGGEPGRAIKER-DHZHZOJOSA-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