General Information of the Compound
| Compound ID |
CP0460693
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| Compound Name |
D2211
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| Structure |
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| Formula |
C28H30F3N5O
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| Molecular Weight |
509.576
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| Canonical SMILES |
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cccnc3)cc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H30F3N5O/c1-34-9-11-35(12-10-34)18-20-13-24(28(29,30)31)16-25(14-20)33-27(37)22-5-4-21-6-8-36(19-23(21)15-22)26-3-2-7-32-17-26/h2-5,7,13-17H,6,8-12,18-19H2,1H3,(H,33,37)
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| InChIKey |
SSHLZMDEQQUFCQ-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
Protein ID: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT01071, Tyrosine-protein kinase ABL1