General Information of the Compound
| Compound ID |
CP0231463
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| Compound Name |
[4-[6-amino-5-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-3-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C28H29ClF2N4O2
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| Molecular Weight |
527.015
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| Canonical SMILES |
Nc1ncc(cc1OCc1c(F)ccc(F)c1Cl)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C28H29ClF2N4O2/c29-26-22(23(30)9-10-24(26)31)17-37-25-14-20(15-33-27(25)32)18-5-7-19(8-6-18)28(36)35-13-3-4-21(35)16-34-11-1-2-12-34/h5-10,14-15,21H,1-4,11-13,16-17H2,(H2,32,33)/t21-/m1/s1
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| InChIKey |
MRXRQVJWPLAKHY-OAQYLSRUSA-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