General Information of the Compound
| Compound ID |
CP0383724
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| Compound Name |
N-[(3S)-1-[9-(2-hydroxyethyl)-6-[4-(4-methylpiperazin-1-yl)anilino]purin-2-yl]pyrrolidin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H33N9O2
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| Molecular Weight |
491.6
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(nc3n(CCO)cnc23)N2CC[C@@H](C2)NC(=O)C=C)cc1
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| InChI |
InChI=1S/C25H33N9O2/c1-3-21(36)27-19-8-9-33(16-19)25-29-23(22-24(30-25)34(14-15-35)17-26-22)28-18-4-6-20(7-5-18)32-12-10-31(2)11-13-32/h3-7,17,19,35H,1,8-16H2,2H3,(H,27,36)(H,28,29,30)/t19-/m0/s1
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| InChIKey |
WEUCCQODBSFSNN-IBGZPJMESA-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
Protein ID: PT00922, Epidermal growth factor receptor