General Information of the Compound
| Compound ID |
CP0964187
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| Compound Name |
(S)-2-(4-(4-(aminomethyl)-1-oxo-8-(tetrahydrofuran-2-yl)-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)benzo[b]thiophene-3-carbonitrile
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| Structure |
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| Formula |
C26H22N6O2S
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| Molecular Weight |
482.569
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| Canonical SMILES |
Cn1ncc(-c2cc([C@@H]3CCCO3)c3c(=O)[nH]nc(CN)c3c2)c1-c1sc2ccccc2c1C#N
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| InChI |
InChI=1S/C26H22N6O2S/c1-32-24(25-18(11-27)15-5-2-3-7-22(15)35-25)19(13-29-32)14-9-16-20(12-28)30-31-26(33)23(16)17(10-14)21-6-4-8-34-21/h2-3,5,7,9-10,13,21H,4,6,8,12,28H2,1H3,(H,31,33)/t21-/m0/s1
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| InChIKey |
RXOUGZIIVASWRH-NRFANRHFSA-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