General Information of the Compound
| Compound ID |
CP0211364
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| Compound Name |
1-[4-[(6R,7R)-7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-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 |
C29H37ClN8O
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| Molecular Weight |
549.123
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1c(Cl)c(C)cc3[nH]ncc13)nc(nc2N1CCN(CC1)C(=O)C=C)N1CC(C1)N(C)C
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| InChI |
InChI=1S/C29H37ClN8O/c1-6-25(39)36-7-9-37(10-8-36)28-21-11-17(2)20(26-22-14-31-34-24(22)12-18(3)27(26)30)13-23(21)32-29(33-28)38-15-19(16-38)35(4)5/h6,12,14,17,19-20H,1,7-11,13,15-16H2,2-5H3,(H,31,34)/t17-,20-/m1/s1
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| InChIKey |
NLKRDCXWPILSCH-YLJYHZDGSA-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