General Information of the Compound
| Compound ID |
CP0185767
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| Compound Name |
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C29H31Cl2FN4O2
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| Molecular Weight |
557.497
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C29H31Cl2FN4O2/c1-18(26-23(30)10-11-24(32)27(26)31)38-25-15-21(16-34-28(25)33)19-6-8-20(9-7-19)29(37)36-14-4-5-22(36)17-35-12-2-3-13-35/h6-11,15-16,18,22H,2-5,12-14,17H2,1H3,(H2,33,34)/t18?,22-/m1/s1
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| InChIKey |
GFGWSTWJMPPEJB-LMNIDFBRSA-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