General Information of the Compound
| Compound ID |
CP0469455
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| Compound Name |
1-[4-[(6R,7R)-2-[3-(dimethylamino)propoxy]-6-methyl-7-(5-methyl-1H-indazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C29H39N7O2
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| Molecular Weight |
517.678
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1c(C)ccc3[nH]ncc13)nc(OCCCN(C)C)nc2N1CCN(CC1)C(=O)C=C
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| InChI |
InChI=1S/C29H39N7O2/c1-6-26(37)35-11-13-36(14-12-35)28-22-16-20(3)21(27-19(2)8-9-24-23(27)18-30-33-24)17-25(22)31-29(32-28)38-15-7-10-34(4)5/h6,8-9,18,20-21H,1,7,10-17H2,2-5H3,(H,30,33)/t20-,21-/m1/s1
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| InChIKey |
SYUXRGGHYDEZOV-NHCUHLMSSA-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