General Information of the Compound
| Compound ID |
CP0030966
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| Compound Name |
N-[2-[[3-(2,6-dichloro-3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H27Cl2N5O5
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| Molecular Weight |
596.471
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| Canonical SMILES |
COc1cc(OC)c(Cl)c(C(=O)c2c[nH]c3nc(Nc4ccc(cc4NC(=O)C=C)N4CCOCC4)ccc23)c1Cl
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| InChI |
InChI=1S/C29H27Cl2N5O5/c1-4-24(37)34-20-13-16(36-9-11-41-12-10-36)5-7-19(20)33-23-8-6-17-18(15-32-29(17)35-23)28(38)25-26(30)21(39-2)14-22(40-3)27(25)31/h4-8,13-15H,1,9-12H2,2-3H3,(H,34,37)(H2,32,33,35)
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| InChIKey |
QNIUIUVGJVSLGY-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