General Information of the Compound
| Compound ID |
CP0353028
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| Compound Name |
5-[(3-Bromophenyl)amino]-3-[(N,N,N-trimethylethylenediamino)methyl]pyrrolo[3,2-g]quinazoline
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| Structure |
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| Formula |
C22H25BrN6
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| Molecular Weight |
453.388
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| Canonical SMILES |
CN(C)CCN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
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| InChI |
InChI=1S/C22H25BrN6/c1-28(2)7-8-29(3)13-15-12-24-20-11-21-19(10-18(15)20)22(26-14-25-21)27-17-6-4-5-16(23)9-17/h4-6,9-12,14,24H,7-8,13H2,1-3H3,(H,25,26,27)
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| InChIKey |
ZGDBKHJMLZCBJH-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