General Information of the Compound
| Compound ID |
CP0564586
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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]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
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| Structure |
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| Formula |
C27H20Cl2F3N7O3
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| Molecular Weight |
618.403
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| Canonical SMILES |
Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CNC(=O)c1cccc(c1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C27H20Cl2F3N7O3/c1-38-7-5-19(36-38)15-10-17(28)22(29)23-21(15)16-12-39(8-6-18(16)34-23)20(40)11-33-25(41)14-4-2-3-13(9-14)24-35-26(42-37-24)27(30,31)32/h2-5,7,9-10,34H,6,8,11-12H2,1H3,(H,33,41)
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| InChIKey |
HMVOQLVCCRWPOW-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