General Information of the Compound
| Compound ID |
CP0344413
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| Compound Name |
[4-[6-amino-5-[(2,6-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(cc1OCc1c(Cl)cccc1Cl)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C28H30Cl2N4O2/c29-24-6-3-7-25(30)23(24)18-36-26-15-21(16-32-27(26)31)19-8-10-20(11-9-19)28(35)34-14-4-5-22(34)17-33-12-1-2-13-33/h3,6-11,15-16,22H,1-2,4-5,12-14,17-18H2,(H2,31,32)/t22-/m1/s1
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| InChIKey |
STWHREOANIRLRZ-JOCHJYFZSA-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