General Information of the Compound
| Compound ID |
CP0046754
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| Compound Name |
(S)-N-(3-fluoro-4-(2-(4-((N-(1-methoxypropan-2-yl)acetamido)methyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C37H31F4N5O4S
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| Molecular Weight |
717.745
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| Canonical SMILES |
COC[C@H](C)N(Cc1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1)C(C)=O
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| InChI |
InChI=1S/C37H31F4N5O4S/c1-22(21-49-3)45(23(2)47)20-24-9-11-25(12-10-24)33-18-30-34(51-33)32(15-16-42-30)50-31-14-13-26(17-29(31)38)44-36(48)28-19-43-46(35(28)37(39,40)41)27-7-5-4-6-8-27/h4-19,22H,20-21H2,1-3H3,(H,44,48)/t22-/m0/s1
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| InChIKey |
ABXAHAOCSWBNBG-QFIPXVFZSA-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