General Information of the Compound
| Compound ID |
CP0536533
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| Compound Name |
8-N-(2-aminoethyl)-2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4,8-triamine
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| Structure |
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| Formula |
C21H24ClFN6
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| Molecular Weight |
414.916
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| Canonical SMILES |
C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2c(NCCN)cccc12)C1CC1
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| InChI |
InChI=1S/C21H24ClFN6/c1-12(13-5-6-13)26-20-15-3-2-4-18(25-10-9-24)19(15)28-21(29-20)27-14-7-8-17(23)16(22)11-14/h2-4,7-8,11-13,25H,5-6,9-10,24H2,1H3,(H2,26,27,28,29)/t12-/m1/s1
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| InChIKey |
XRKBCXMGGURXKD-GFCCVEGCSA-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