General Information of the Compound
| Compound ID |
CP0377090
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| Compound Name |
2-(6-chloro-4-(3-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)quinazolin-2-yl)guanidine
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| Structure |
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| Formula |
C21H24ClN7O
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| Molecular Weight |
425.924
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| Canonical SMILES |
NC(N)=Nc1nc(-c2cccc(c2)N2CCN(CCO)CC2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C21H24ClN7O/c22-15-4-5-18-17(13-15)19(26-21(25-18)27-20(23)24)14-2-1-3-16(12-14)29-8-6-28(7-9-29)10-11-30/h1-5,12-13,30H,6-11H2,(H4,23,24,25,26,27)
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| InChIKey |
KSIUWZHGKSKREE-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