General Information of the Compound
| Compound ID |
CP0191751
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| Compound Name |
[4-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]pyridin-3-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C29H32Cl2N4O2
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| Molecular Weight |
539.507
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H32Cl2N4O2/c1-19(27-24(30)7-4-8-25(27)31)37-26-16-22(17-33-28(26)32)20-9-11-21(12-10-20)29(36)35-15-5-6-23(35)18-34-13-2-3-14-34/h4,7-12,16-17,19,23H,2-3,5-6,13-15,18H2,1H3,(H2,32,33)/t19?,23-/m1/s1
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| InChIKey |
LVGDISGNKYDSAM-LEQGEALCSA-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