General Information of the Compound
| Compound ID |
CP0534426
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| Compound Name |
6-(4-chlorophenyl)-3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C23H21ClN4O3
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| Molecular Weight |
436.899
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| Canonical SMILES |
COc1cc(ccc1N1CC[C@@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H21ClN4O3/c1-31-22-11-18(6-7-20(22)26-9-8-19(29)13-26)27-14-25-28-12-16(10-21(28)23(27)30)15-2-4-17(24)5-3-15/h2-7,10-12,14,19,29H,8-9,13H2,1H3/t19-/m1/s1
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| InChIKey |
CSUYOWVTAHGJSU-LJQANCHMSA-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