General Information of the Compound
| Compound ID |
CP0490612
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| Compound Name |
CHEMBL255855
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| Formula |
C30H40N6O2
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| Molecular Weight |
516.69
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| Canonical SMILES |
COc1ccccc1NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1
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| InChI |
InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)26-19-24-15-16-25(20-26)34(24)17-10-18-35(23-11-6-5-7-12-23)30(37)31-27-13-8-9-14-28(27)38-4/h5-9,11-14,21,24-26H,10,15-20H2,1-4H3,(H,31,37)/t24-,25+,26+
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| InChIKey |
BIDHOLBHYBEPOD-GPOLMCQNSA-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