General Information of the Compound
| Compound ID |
CP0357998
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| Compound Name |
(E)-1-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbut-2-ene-1,4-dione
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| Formula |
C30H30N6O2
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| Molecular Weight |
506.61
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\C(=O)c2ccccc2)ncc1C
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| InChI |
InChI=1S/C30H30N6O2/c1-20(2)36-19-25(17-32-36)29-21(3)16-31-30(34-29)33-26-10-9-24-18-35(14-13-23(24)15-26)28(38)12-11-27(37)22-7-5-4-6-8-22/h4-12,15-17,19-20H,13-14,18H2,1-3H3,(H,31,33,34)/b12-11+
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| InChIKey |
NQLNVNONUBTYRF-VAWYXSNFSA-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