General Information of the Compound
| Compound ID |
CP0475741
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| Compound Name |
(7R)-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C32H31FN4O4
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| Molecular Weight |
554.622
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| Canonical SMILES |
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O
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| InChI |
InChI=1S/C32H31FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-10,13-14,17,35,41H,11-12,15H2,1-4H3,(H2,34,38)/t17-/m1/s1
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| InChIKey |
HTSQWDSWQXKZRY-QGZVFWFLSA-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