General Information of the Compound
| Compound ID |
CP0942154
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| Compound Name |
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H21ClN6O2
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| Molecular Weight |
400.87
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| Canonical SMILES |
Cc1n[nH]c2c1CN(C(=O)c1cccc(Oc3cc(CN)ncn3)c1)CC2.Cl
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| InChI |
InChI=1S/C19H20N6O2.ClH/c1-12-16-10-25(6-5-17(16)24-23-12)19(26)13-3-2-4-15(7-13)27-18-8-14(9-20)21-11-22-18;/h2-4,7-8,11H,5-6,9-10,20H2,1H3,(H,23,24);1H
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| InChIKey |
HVNSJELQGSBALA-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