General Information of the Compound
| Compound ID |
CP0946954
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| Compound Name |
3,3-Dimethyl-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl}butan-2-ol
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| Structure |
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| Formula |
C22H29N5O2
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| Molecular Weight |
395.507
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(C(C)(O)C(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
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| InChI |
InChI=1S/C22H29N5O2/c1-14-13-29-11-10-27(14)18-12-16(22(5,28)21(2,3)4)15-6-8-23-20(19(15)25-18)17-7-9-24-26-17/h6-9,12,14,28H,10-11,13H2,1-5H3,(H,24,26)/t14-,22?/m1/s1
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| InChIKey |
JEKFZLKMYTUJAS-HNNQXCQYSA-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