General Information of the Compound
| Compound ID |
CP0575022
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| Compound Name |
1-[4-[[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C26H35N7O3
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| Molecular Weight |
493.612
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| Canonical SMILES |
COc1cc(ccc1Nc1nc(OC2CCN(CC2)C(=O)C=C)c2cc[nH]c2n1)N(C)CCN(C)C
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| InChI |
InChI=1S/C26H35N7O3/c1-6-23(34)33-13-10-19(11-14-33)36-25-20-9-12-27-24(20)29-26(30-25)28-21-8-7-18(17-22(21)35-5)32(4)16-15-31(2)3/h6-9,12,17,19H,1,10-11,13-16H2,2-5H3,(H2,27,28,29,30)
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| InChIKey |
MLSAXWOQWBHGSP-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