General Information of the Compound
| Compound ID |
CP0564583
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| Compound Name |
N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2,2-difluoro-2-(4-methylphenoxy)acetamide
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| Structure |
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| Formula |
C26H23Cl2F2N5O3
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| Molecular Weight |
562.404
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| Canonical SMILES |
Cc1ccc(OC(F)(F)C(=O)NCC(=O)N2CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C)n5)c4c3C2)cc1
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| InChI |
InChI=1S/C26H23Cl2F2N5O3/c1-14-3-5-15(6-4-14)38-26(29,30)25(37)31-12-21(36)35-10-8-19-17(13-35)22-16(20-7-9-34(2)33-20)11-18(27)23(28)24(22)32-19/h3-7,9,11,32H,8,10,12-13H2,1-2H3,(H,31,37)
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| InChIKey |
HLSDREPYQOVXEQ-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: PT04739, Cyclic GMP-AMP synthase
Protein ID: PT05581, Cyclic GMP-AMP synthase