General Information of the Compound
| Compound ID |
CP0448998
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| Compound Name |
6-(5-chloropyridin-2-yl)-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 |
C20H17ClN6O2
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| Molecular Weight |
408.849
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| Canonical SMILES |
O[C@@H]1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C20H17ClN6O2/c21-14-1-3-17(22-8-14)13-7-18-20(29)26(12-24-27(18)10-13)15-2-4-19(23-9-15)25-6-5-16(28)11-25/h1-4,7-10,12,16,28H,5-6,11H2/t16-/m1/s1
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| InChIKey |
KBAHMTHILGZKOB-MRXNPFEDSA-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