General Information of the Compound
| Compound ID |
CP0546227
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| Compound Name |
CHEMBL5197115
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(=O)nc1C1CCCC1
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| InChI |
InChI=1S/C28H31N3O5/c1-35-21-13-8-14-22(36-2)24(21)31-25(19-11-6-7-12-19)29-26(32)23(28(31)34)27(33)30-16-15-20(17-30)18-9-4-3-5-10-18/h3-5,8-10,13-14,19-20,34H,6-7,11-12,15-17H2,1-2H3/t20-/m0/s1
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| InChIKey |
GGSGXJSIXZLMEI-FQEVSTJZSA-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