General Information of the Compound
| Compound ID |
CP0188026
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| Compound Name |
3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[(4-tert-butylphenyl)methyl]benzamide
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| Structure |
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| Formula |
C31H35N7O2
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| Molecular Weight |
537.668
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1
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| InChI |
InChI=1S/C31H35N7O2/c1-5-25(39)37-15-7-10-24(18-37)38-29-26(28(32)34-19-35-29)27(36-38)21-8-6-9-22(16-21)30(40)33-17-20-11-13-23(14-12-20)31(2,3)4/h5-6,8-9,11-14,16,19,24H,1,7,10,15,17-18H2,2-4H3,(H,33,40)(H2,32,34,35)/t24-/m1/s1
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| InChIKey |
SJJNZHHGZMUFIM-XMMPIXPASA-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