General Information of the Compound
| Compound ID |
CP0444489
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| Compound Name |
7-(2-amino-3,5-dichloro-6-fluorophenyl)-6-chloro-4-[3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxo-1,8-naphthyridine-3-carbonitrile
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| Formula |
C33H28Cl3FN8O2
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| Molecular Weight |
693.998
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| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(C(CC#N)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F
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| InChI |
InChI=1S/C33H28Cl3FN8O2/c1-5-24(46)44-11-10-43(15-18(44)6-8-38)31-19-12-23(36)29(25-26(37)21(34)13-22(35)27(25)40)42-32(19)45(33(47)20(31)14-39)30-17(4)7-9-41-28(30)16(2)3/h5,7,9,12-13,16,18H,1,6,10-11,15,40H2,2-4H3
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| InChIKey |
UAMGUBVJXVAZNT-UHFFFAOYSA-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
Protein ID: PT03462, GTPase KRas
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000268 | NCI-H358 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 35.58 nM
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