General Information of the Compound
| Compound ID |
CP0541499
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| Compound Name |
2-[[3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl-methylamino]acetamide;dihydrochloride
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| Structure |
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| Formula |
C19H27Cl2N5O2
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| Molecular Weight |
428.364
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| Canonical SMILES |
Cl.Cl.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC[C@@H]1CO
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| InChI |
InChI=1S/C19H25N5O2.2ClH/c1-23(12-18(20)26)11-14-4-2-5-15(8-14)16-9-21-19(22-10-16)24-7-3-6-17(24)13-25;;/h2,4-5,8-10,17,25H,3,6-7,11-13H2,1H3,(H2,20,26);2*1H/t17-;;/m1../s1
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| InChIKey |
BFILLIIJBSZIRD-ZEECNFPPSA-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