General Information of the Compound
| Compound ID |
CP0373796
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| Compound Name |
3-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
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| Structure |
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| Formula |
C30H28N6O
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| Molecular Weight |
488.595
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| Canonical SMILES |
CN1C[C@@H]2C[C@H]1CN2c1ccc(c(C)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1
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| InChI |
InChI=1S/C30H28N6O/c1-19-14-22(35-18-23-16-24(35)17-34(23)2)6-7-26(19)27-10-13-32-30-28(21-4-3-5-25(37)15-21)29(33-36(27)30)20-8-11-31-12-9-20/h3-15,23-24,37H,16-18H2,1-2H3/t23-,24-/m0/s1
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| InChIKey |
RRSJWNKMMLAHOA-ZEQRLZLVSA-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