General Information of the Compound
| Compound ID |
CP0579460
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| Compound Name |
N-[5-(4-acetylpiperazin-1-yl)-2-[[3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C31H32N6O5
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| Molecular Weight |
568.634
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)c1c[nH]c2nc(Nc3ccc(cc3NC(=O)C=C)N3CCN(CC3)C(C)=O)ccc12
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| InChI |
InChI=1S/C31H32N6O5/c1-5-29(39)34-27-16-21(37-12-10-36(11-13-37)19(2)38)6-8-26(27)33-28-9-7-24-25(18-32-31(24)35-28)30(40)20-14-22(41-3)17-23(15-20)42-4/h5-9,14-18H,1,10-13H2,2-4H3,(H,34,39)(H2,32,33,35)
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| InChIKey |
JBAYNSATTUMRBL-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