General Information of the Compound
| Compound ID |
CP0306172
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| Compound Name |
6-(5-chloropyridin-2-yl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C23H21ClN4O4
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| Molecular Weight |
452.898
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| Canonical SMILES |
COc1cc(ccc1OC[C@H](O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C23H21ClN4O4/c1-31-22-9-17(5-7-21(22)32-12-20(29)14-2-3-14)27-13-26-28-11-15(8-19(28)23(27)30)18-6-4-16(24)10-25-18/h4-11,13-14,20,29H,2-3,12H2,1H3/t20-/m0/s1
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| InChIKey |
QKWXHKFUQHMBFV-FQEVSTJZSA-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