General Information of the Compound
| Compound ID |
CP0412664
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-8-N-[2-(dimethylamino)ethyl]quinazoline-2,4,8-triamine
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| Structure |
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| Formula |
C23H28ClFN6
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| Molecular Weight |
442.97
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| Canonical SMILES |
C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2c(NCCN(C)C)cccc12)C1CC1
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| InChI |
InChI=1S/C23H28ClFN6/c1-14(15-7-8-15)27-22-17-5-4-6-20(26-11-12-31(2)3)21(17)29-23(30-22)28-16-9-10-19(25)18(24)13-16/h4-6,9-10,13-15,26H,7-8,11-12H2,1-3H3,(H2,27,28,29,30)/t14-/m1/s1
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| InChIKey |
XUJGCBLGYSWGGN-CQSZACIVSA-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