General Information of the Compound
| Compound ID |
CP0170839
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| Compound Name |
US9073853, 7
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| Formula |
C30H37ClN2O5
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| Molecular Weight |
541.088
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| Canonical SMILES |
C[C@H](N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H37ClN2O5/c1-20-17-23(5-12-27(20)38-16-15-33-28(34)13-14-29(33)35)19-32(21(2)24-8-10-26(31)11-9-24)18-22-3-6-25(7-4-22)30(36)37/h5,8-12,17,21-22,25H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t21-,22-,25-/m0/s1
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| InChIKey |
ICUHPVXBOVYEID-HWBMXIPRSA-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