General Information of the Compound
| Compound ID |
CP0260259
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| Compound Name |
(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-(4-methylpiperazin-1-yl)pent-2-enenitrile
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| Structure |
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| Formula |
C34H38FN9O2
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| Molecular Weight |
623.737
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| Canonical SMILES |
CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C34H38FN9O2/c1-34(2,43-16-14-41(3)15-17-43)19-23(20-36)33(45)42-13-7-8-24(21-42)44-32-29(31(37)38-22-39-32)30(40-44)27-12-11-26(18-28(27)35)46-25-9-5-4-6-10-25/h4-6,9-12,18-19,22,24H,7-8,13-17,21H2,1-3H3,(H2,37,38,39)/b23-19+/t24-/m1/s1
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| InChIKey |
NNGVMERLTTVLQP-UKPAFZAXSA-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