General Information of the Compound
| Compound ID |
CP0573331
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| Compound Name |
1-[(3S)-4-[(6R,7R)-7-[3-amino-2-fluoro-6-(trifluoromethyl)phenyl]-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydroquinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C30H38F4N6O2
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| Molecular Weight |
590.666
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)ccc1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C
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| InChI |
InChI=1S/C30H38F4N6O2/c1-5-25(41)39-11-12-40(18(3)15-39)28-21-13-17(2)20(26-22(30(32,33)34)8-9-23(35)27(26)31)14-24(21)36-29(37-28)42-16-19-7-6-10-38(19)4/h5,8-9,17-20H,1,6-7,10-16,35H2,2-4H3/t17-,18+,19+,20-/m1/s1
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| InChIKey |
OZRZEEUJBJSHEU-FUMNGEBKSA-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