General Information of the Compound
| Compound ID |
CP0236837
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-amine
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| Structure |
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| Formula |
C28H35N7O2
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| Molecular Weight |
501.635
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3C[C@H](C)N(C)[C@H](C)C3)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C28H35N7O2/c1-18-15-35(16-19(2)34(18)3)22-8-9-25-26(13-22)29-17-30-28(25)31-27-12-21(32-33-27)7-6-20-10-23(36-4)14-24(11-20)37-5/h8-14,17-19H,6-7,15-16H2,1-5H3,(H2,29,30,31,32,33)/t18-,19+
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| InChIKey |
YZGHBQVWFXWJBG-KDURUIRLSA-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