General Information of the Compound
| Compound ID |
CP0573341
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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-(5-methyl-1,2-oxazol-3-yl)acetamide
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| Structure |
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| Formula |
C23H22Cl2N6O3
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| Molecular Weight |
501.374
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| Canonical SMILES |
Cc1cc(CC(=O)NCC(=O)N2CCc3[nH]c4c(Cl)c(Cl)cc(-c5ccn(C)n5)c4c3C2)no1
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| InChI |
InChI=1S/C23H22Cl2N6O3/c1-12-7-13(29-34-12)8-19(32)26-10-20(33)31-6-4-17-15(11-31)21-14(18-3-5-30(2)28-18)9-16(24)22(25)23(21)27-17/h3,5,7,9,27H,4,6,8,10-11H2,1-2H3,(H,26,32)
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| InChIKey |
IJEGHHSDTACIKA-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