General Information of the Compound
| Compound ID |
CP0578292
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| Compound Name |
N-[3-[4-(4-hydroxyanilino)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| Formula |
C32H31N7O2
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| Molecular Weight |
545.647
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(O)cc3)c2c1-c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C32H31N7O2/c1-3-27(41)35-24-6-4-5-22(19-24)28-29-31(36-23-9-13-26(40)14-10-23)33-20-34-32(29)37-30(28)21-7-11-25(12-8-21)39-17-15-38(2)16-18-39/h3-14,19-20,40H,1,15-18H2,2H3,(H,35,41)(H2,33,34,36,37)
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| InChIKey |
FJDMHKWYJAGTLG-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