General Information of the Compound
| Compound ID |
CP0342413
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| Compound Name |
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1
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| InChI |
InChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)
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| InChIKey |
JMUYSSBOQHMVKX-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