General Information of the Compound
| Compound ID |
CP0943690
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| Compound Name |
(S)-Methyl 3-(3-((6-(aminomethyl)pyrimidin-4-yl)oxy)benzamido)pent-4-ynoate hydrochloride
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| Structure |
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| Formula |
C18H19ClN4O4
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| Molecular Weight |
390.827
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| Canonical SMILES |
C#C[C@H](CC(=O)OC)NC(=O)c1cccc(Oc2cc(CN)ncn2)c1.Cl
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| InChI |
InChI=1S/C18H18N4O4.ClH/c1-3-13(9-17(23)25-2)22-18(24)12-5-4-6-15(7-12)26-16-8-14(10-19)20-11-21-16;/h1,4-8,11,13H,9-10,19H2,2H3,(H,22,24);1H/t13-;/m1./s1
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| InChIKey |
YWNSRKVUMLQOEO-BTQNPOSSSA-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