General Information of the Compound
| Compound ID |
CP0579667
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| Compound Name |
1,1,1,3,3,3-hexafluoropropan-2-yl 6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
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| Structure |
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| Formula |
C19H14Cl2F6N4O2
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| Molecular Weight |
515.241
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| Canonical SMILES |
Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)OC(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H14Cl2F6N4O2/c1-30-4-2-12(29-30)8-6-10(20)14(21)15-13(8)9-7-31(5-3-11(9)28-15)17(32)33-16(18(22,23)24)19(25,26)27/h2,4,6,16,28H,3,5,7H2,1H3
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| InChIKey |
KZSBXIOYDMJICI-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