General Information of the Compound
| Compound ID |
CP0555277
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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-(furan-2-yl)acetamide
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| Structure |
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| Formula |
C23H21Cl2N5O3
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| Molecular Weight |
486.359
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| Canonical SMILES |
Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CNC(=O)Cc1ccco1
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| InChI |
InChI=1S/C23H21Cl2N5O3/c1-29-6-4-18(28-29)14-10-16(24)22(25)23-21(14)15-12-30(7-5-17(15)27-23)20(32)11-26-19(31)9-13-3-2-8-33-13/h2-4,6,8,10,27H,5,7,9,11-12H2,1H3,(H,26,31)
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| InChIKey |
AJZDPINAQHQTPL-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: PT05581, Cyclic GMP-AMP synthase
Protein ID: PT04739, Cyclic GMP-AMP synthase