General Information of the Compound
| Compound ID |
CP0376679
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| Compound Name |
(2R)-1-[4-[3-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
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| Structure |
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| Formula |
C28H33N5O3
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| Molecular Weight |
487.604
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1
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| InChI |
InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1
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| InChIKey |
YNWRFXIHAOGUAM-LJQANCHMSA-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