General Information of the Compound
| Compound ID |
CP0377487
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| Compound Name |
4-[(18E)-8-methyl-16-methylsulfonyl-6-(trifluoromethyl)-2,4,8,13,16,25-hexazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3,5,7(25),10(15),11,13,18,20,22-decaen-21-yl]morpholine
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| Structure |
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| Formula |
C26H28F3N7O3S
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| Molecular Weight |
575.617
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| Canonical SMILES |
CN1Cc2ccncc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H28F3N7O3S/c1-34-17-19-7-8-30-16-23(19)36(40(2,37)38)9-3-4-18-14-20(5-6-22(18)35-10-12-39-13-11-35)32-25-31-15-21(24(34)33-25)26(27,28)29/h3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33)/b4-3+
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| InChIKey |
SQSRYKIYYZPXLV-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
Protein ID: PT01141, Focal adhesion kinase 1
Protein ID: PT01098, Protein-tyrosine kinase 2-beta