General Information of the Compound
| Compound ID |
CP0967237
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| Compound Name |
(S)-4-(4-(3-(4-fluorophenyl)morpholino)-2-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)quinazolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
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| Formula |
C33H32FN7O3
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| Molecular Weight |
593.663
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| Canonical SMILES |
Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O
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| InChI |
InChI=1S/C33H32FN7O3/c1-33(2,43)19-40-16-22(15-36-40)30-37-27-9-6-21(26-17-39(3)32(42)29-24(26)10-11-35-29)14-25(27)31(38-30)41-12-13-44-18-28(41)20-4-7-23(34)8-5-20/h4-11,14-17,28,35,43H,12-13,18-19H2,1-3H3/t28-/m1/s1
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| InChIKey |
NWBXSSAAUAOJIK-MUUNZHRXSA-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