General Information of the Compound
| Compound ID |
CP0457126
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| Compound Name |
5-amino-N-(2-chloroethyl)-4-(4-cyanoanilino)-2-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]benzamide
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| Structure |
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| Formula |
C27H24ClN5O2
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| Molecular Weight |
485.975
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| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(Nc2ccc(cc2)C#N)c(N)cc1C(=O)NCCCl
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| InChI |
InChI=1S/C27H24ClN5O2/c1-17-12-20(4-3-10-29)13-18(2)26(17)35-25-15-24(33-21-7-5-19(16-30)6-8-21)23(31)14-22(25)27(34)32-11-9-28/h3-8,12-15,33H,9,11,31H2,1-2H3,(H,32,34)/b4-3+
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| InChIKey |
NXWFUKNVRMQPGM-ONEGZZNKSA-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