General Information of the Compound
| Compound ID |
CP0384426
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| Compound Name |
4-[[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C24H15ClN8
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| Molecular Weight |
450.893
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| Canonical SMILES |
Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)
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| InChIKey |
WHTYOOSKWPNGMT-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: PT03381, 5'-nucleotidase
Protein ID: PT03403, Ectonucleoside triphosphate diphosphohydrolase 1
Protein ID: PT04018, Ectonucleoside triphosphate diphosphohydrolase 2
Protein ID: PT02638, Ectonucleoside triphosphate diphosphohydrolase 3
Protein ID: PT04017, Ectonucleoside triphosphate diphosphohydrolase 8