General Information of the Compound
| Compound ID |
CP0437113
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| Compound Name |
2-N-[(2,4-dichlorophenyl)methyl]-4-N-[5-(diethylamino)pentan-2-yl]quinazoline-2,4-diamine
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| Structure |
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| Formula |
C24H31Cl2N5
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| Molecular Weight |
460.453
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| Canonical SMILES |
CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2ccccc12
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| InChI |
InChI=1S/C24H31Cl2N5/c1-4-31(5-2)14-8-9-17(3)28-23-20-10-6-7-11-22(20)29-24(30-23)27-16-18-12-13-19(25)15-21(18)26/h6-7,10-13,15,17H,4-5,8-9,14,16H2,1-3H3,(H2,27,28,29,30)
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| InChIKey |
IYAPHDTVUXJQJI-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