General Information of the Compound
| Compound ID |
CP0498859
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| Compound Name |
[4-[6-amino-5-[(2,4-dichlorophenyl)methoxy]pyridin-3-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C28H30Cl2N4O2
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| Molecular Weight |
525.48
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| Canonical SMILES |
Nc1ncc(cc1OCc1ccc(Cl)cc1Cl)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C28H30Cl2N4O2/c29-23-10-9-21(25(30)15-23)18-36-26-14-22(16-32-27(26)31)19-5-7-20(8-6-19)28(35)34-13-3-4-24(34)17-33-11-1-2-12-33/h5-10,14-16,24H,1-4,11-13,17-18H2,(H2,31,32)/t24-/m1/s1
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| InChIKey |
JMBWJOYTUHXLOP-XMMPIXPASA-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