General Information of the Compound
| Compound ID |
CP0575765
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| Compound Name |
N-[5-(4-acetylpiperazin-1-yl)-2-[[3-(2,6-dichloro-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 |
C31H30Cl2N6O5
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| Molecular Weight |
637.524
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| Canonical SMILES |
COc1cc(OC)c(Cl)c(C(=O)c2c[nH]c3nc(Nc4ccc(cc4NC(=O)C=C)N4CCN(CC4)C(C)=O)ccc23)c1Cl
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| InChI |
InChI=1S/C31H30Cl2N6O5/c1-5-26(41)36-22-14-18(39-12-10-38(11-13-39)17(2)40)6-8-21(22)35-25-9-7-19-20(16-34-31(19)37-25)30(42)27-28(32)23(43-3)15-24(44-4)29(27)33/h5-9,14-16H,1,10-13H2,2-4H3,(H,36,41)(H2,34,35,37)
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| InChIKey |
WRYMUMJFNQIFJY-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