General Information of the Compound
| Compound ID |
CP0072237
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| Compound Name |
6-(4-chlorophenyl)-3-[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C21H18ClN5O2
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| Molecular Weight |
407.861
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| Canonical SMILES |
O[C@@H]1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H18ClN5O2/c22-16-3-1-14(2-4-16)15-9-19-21(29)26(13-24-27(19)11-15)17-5-6-20(23-10-17)25-8-7-18(28)12-25/h1-6,9-11,13,18,28H,7-8,12H2/t18-/m1/s1
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| InChIKey |
RGMCYARQJKEXRX-GOSISDBHSA-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