General Information of the Compound
| Compound ID |
CP0261682
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| Compound Name |
CHEMBL239360
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| Formula |
C29H37N7O
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| Molecular Weight |
499.663
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| Canonical SMILES |
CN(C[C@H]1C[C@H](C1)C1=NC(C2N1C=CN=C2N)c1cccc(OCc2ccccc2)c1)N1CCNCC1
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| InChI |
InChI=1S/C29H37N7O/c1-34(35-13-10-31-11-14-35)19-22-16-24(17-22)29-33-26(27-28(30)32-12-15-36(27)29)23-8-5-9-25(18-23)37-20-21-6-3-2-4-7-21/h2-9,12,15,18,22,24,26-27,31H,10-11,13-14,16-17,19-20H2,1H3,(H2,30,32)/t22-,24+,26?,27?
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| InChIKey |
GUDFNEWEEHZYCE-WJZCXNSHSA-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