General Information of the Compound
| Compound ID |
CP0951292
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| Compound Name |
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(4-(3,5-dichloropyridin-2-yl)piperazin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C21H21Cl3N6O2
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| Molecular Weight |
495.798
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c2)ncn1
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| InChI |
InChI=1S/C21H20Cl2N6O2.ClH/c22-15-9-18(23)20(25-12-15)28-4-6-29(7-5-28)21(30)14-2-1-3-17(8-14)31-19-10-16(11-24)26-13-27-19;/h1-3,8-10,12-13H,4-7,11,24H2;1H
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| InChIKey |
OMHWRNFDNMDWSS-UHFFFAOYSA-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