General Information of the Compound
| Compound ID |
CP0198965
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| Compound Name |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
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| Structure |
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| Formula |
C20H20Cl2FN5O
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| Molecular Weight |
436.318
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cnn(c1)[C@H]1CCNC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C20H20Cl2FN5O/c1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-26-20(17)24)13-8-27-28(10-13)14-4-5-25-9-14/h2-3,6-8,10-11,14,25H,4-5,9H2,1H3,(H2,24,26)/t11?,14-/m0/s1
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| InChIKey |
FOYJLDDDNZOYPZ-IAXJKZSUSA-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