General Information of the Compound
| Compound ID |
CP0395468
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-9-(3-phenylpropyl)purin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C43H45N7O3
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| Molecular Weight |
707.879
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CCCc3ccccc3)c2n1
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| InChI |
InChI=1S/C43H45N7O3/c1-29-35(13-8-14-36(29)46-41(51)31-15-19-33(20-16-31)43(2,3)4)38-47-39(45-34-21-17-32(18-22-34)42(52)49-24-26-53-27-25-49)37-40(48-38)50(28-44-37)23-9-12-30-10-6-5-7-11-30/h5-8,10-11,13-22,28H,9,12,23-27H2,1-4H3,(H,46,51)(H,45,47,48)
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| InChIKey |
XHPMOUSEVMBYJX-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