General Information of the Compound
| Compound ID |
CP0230698
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| Compound Name |
1-[4-[(6R,7R)-7-(5-chloro-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 |
C28H35ClN8O
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| Molecular Weight |
535.096
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1c(Cl)ccc3[nH]ncc13)nc(nc2N1CCN(CC1)C(=O)C=C)N1CC(C1)N(C)C
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| InChI |
InChI=1S/C28H35ClN8O/c1-5-25(38)35-8-10-36(11-9-35)27-20-12-17(2)19(26-21-14-30-33-23(21)7-6-22(26)29)13-24(20)31-28(32-27)37-15-18(16-37)34(3)4/h5-7,14,17-19H,1,8-13,15-16H2,2-4H3,(H,30,33)/t17-,19-/m1/s1
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| InChIKey |
RMBLQIHNCWWEMI-IEBWSBKVSA-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