General Information of the Compound
| Compound ID |
CP0538622
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| Compound Name |
CHEMBL402242
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| Formula |
C30H40N6O2
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| Molecular Weight |
516.69
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| Canonical SMILES |
COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)27-19-25-13-14-26(20-27)34(25)17-8-18-35(24-9-6-5-7-10-24)30(37)31-23-11-15-28(38-4)16-12-23/h5-7,9-12,15-16,21,25-27H,8,13-14,17-20H2,1-4H3,(H,31,37)/t25-,26+,27+
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| InChIKey |
YZLDUGXGQUKXQJ-UQWUFBTJSA-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