General Information of the Compound
| Compound ID |
CP0387502
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| Compound Name |
3-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propanamide
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| Structure |
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| Formula |
C25H31Cl2N7O
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| Molecular Weight |
516.477
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(N)=O)C1
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| InChI |
InChI=1S/C25H31Cl2N7O/c1-15-24-25(34(31-15)16(2)20-6-5-19(26)10-21(20)27)30-23(11-29-24)33-13-18(14-33)17-4-3-8-32(12-17)9-7-22(28)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H2,28,35)/t16-,17+/m1/s1
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| InChIKey |
FATSWIDSLHDFRU-SJORKVTESA-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