General Information of the Compound
| Compound ID |
CP0247608
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| Compound Name |
N-[3-[[5-cyclopropyl-2-[(2-cyclopropyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C27H36N6O
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| Molecular Weight |
460.626
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| Canonical SMILES |
O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1
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| InChI |
InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)
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| InChIKey |
MDSQSUYVBCKIKT-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