General Information of the Compound
| Compound ID |
CP0941170
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| Compound Name |
(R)-N-(2-(6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2 yl)-2-oxoethyl)-4,4-difluoropyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H22Cl2F2N6O2
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| Molecular Weight |
511.36
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| Canonical SMILES |
Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)[C@@H]2CC(F)(F)CN2)CC4)n1
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| InChI |
InChI=1S/C22H22Cl2F2N6O2/c1-31-4-2-15(30-31)11-6-13(23)19(24)20-18(11)12-9-32(5-3-14(12)29-20)17(33)8-27-21(34)16-7-22(25,26)10-28-16/h2,4,6,16,28-29H,3,5,7-10H2,1H3,(H,27,34)/t16-/m0/s1
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| InChIKey |
PAPMRSSOFOUSDE-INIZCTEOSA-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: PT05581, Cyclic GMP-AMP synthase
Protein ID: PT04739, Cyclic GMP-AMP synthase