General Information of the Compound
| Compound ID |
CP0519806
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| Compound Name |
(2S)-2-[(6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C32H41ClN10O3
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| Molecular Weight |
649.2
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| Canonical SMILES |
Clc1nc(N[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c2c[nH]nc2n1
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| InChI |
InChI=1S/C32H41ClN10O3/c33-31-37-28(24-19-34-39-29(24)38-31)35-26(30(45)42-16-8-22(9-17-42)40-12-4-1-5-13-40)18-27(44)41-14-10-23(11-15-41)43-20-21-6-2-3-7-25(21)36-32(43)46/h2-3,6-7,19,22-23,26H,1,4-5,8-18,20H2,(H,36,46)(H2,34,35,37,38,39)/t26-/m0/s1
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| InChIKey |
HJEUHGRWMSSEQS-SANMLTNESA-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