General Information of the Compound
| Compound ID |
CP0251713
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| Compound Name |
6-(4-chlorophenyl)-3-[4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-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(ccc1N1C[C@H](O)[C@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H21ClN4O4/c1-32-22-9-17(6-7-18(22)26-11-20(29)21(30)12-26)27-13-25-28-10-15(8-19(28)23(27)31)14-2-4-16(24)5-3-14/h2-10,13,20-21,29-30H,11-12H2,1H3/t20-,21+
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| InChIKey |
JYORAMBSJLKFFO-OYRHEFFESA-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