General Information of the Compound
| Compound ID |
CP0339412
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| Compound Name |
1-[1-({4-[3-phenyl-5-(1H-1,2,4-triazol-3-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C30H28N10
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| Molecular Weight |
528.624
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| Canonical SMILES |
Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnc[nH]2)CC1
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| InChI |
InChI=1S/C30H28N10/c31-28-26-16-37-40(30(26)35-18-33-28)24-10-12-39(13-11-24)17-20-6-8-22(9-7-20)27-25(21-4-2-1-3-5-21)14-23(15-32-27)29-34-19-36-38-29/h1-9,14-16,18-19,24H,10-13,17H2,(H2,31,33,35)(H,34,36,38)
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| InChIKey |
WPQHLIPHCCADRU-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