General Information of the Compound
| Compound ID |
CP0136885
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| Compound Name |
7-{4-[(4-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidin-1-yl)methyl]phenyl}-6-phenylpyrido[2,3-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)-c2nc3ncnc(N)c3cc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)26(38-29(24)35-17-33-27)21-8-6-19(7-9-21)16-39-12-10-22(11-13-39)40-30-25(15-37-40)28(32)34-18-36-30/h1-9,14-15,17-18,22H,10-13,16H2,(H2,32,34,36)(H2,31,33,35,38)
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| InChIKey |
CCUQHOVPLNKBBL-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