General Information of the Compound
| Compound ID |
CP0273436
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| Compound Name |
(Z)-2-[(2R)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-3-cyclopropylprop-2-enenitrile
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| Structure |
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| Formula |
C29H26FN7O2
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| Molecular Weight |
523.572
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| Canonical SMILES |
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=C/C3CC3)\C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12
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| InChI |
InChI=1S/C29H26FN7O2/c30-24-14-22(39-21-6-2-1-3-7-21)10-11-23(24)26-25-27(32)33-17-34-28(25)37(35-26)16-20-5-4-12-36(20)29(38)19(15-31)13-18-8-9-18/h1-3,6-7,10-11,13-14,17-18,20H,4-5,8-9,12,16H2,(H2,32,33,34)/b19-13-/t20-/m1/s1
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| InChIKey |
JVLRCXYMHHEMSN-QRRJMBGHSA-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