General Information of the Compound
| Compound ID |
CP0514851
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| Compound Name |
N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methyl-4-[[(3R)-piperidin-3-yl]amino]quinazoline-8-carboxamide
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| Formula |
C27H24ClF3N6O3S
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| Molecular Weight |
605.042
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| Canonical SMILES |
Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1
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| InChI |
InChI=1S/C27H24ClF3N6O3S/c1-14-9-17-24(33-13-34-26(17)35-16-3-2-8-32-12-16)18(10-14)27(38)36-25-19(28)5-7-21(23(25)31)37-41(39,40)22-11-15(29)4-6-20(22)30/h4-7,9-11,13,16,32,37H,2-3,8,12H2,1H3,(H,36,38)(H,33,34,35)/t16-/m1/s1
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| InChIKey |
ODJSROVAWUHOPQ-MRXNPFEDSA-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