General Information of the Compound
| Compound ID |
CP0867097
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| Compound Name |
CHEMBL3955179
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| Structure |
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| Formula |
C32H39ClN4O4
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| Molecular Weight |
579.141
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| Canonical SMILES |
O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C32H39ClN4O4/c33-25-12-7-9-23(21-25)22-26-28(38)34-18-8-11-24-10-1-2-13-27(24)41-20-19-35-31(14-3-4-15-31)30(40)37-32(29(39)36-26)16-5-6-17-32/h1-2,7-13,21,26,35H,3-6,14-20,22H2,(H,34,38)(H,36,39)(H,37,40)/b11-8-/t26-/m0/s1
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| InChIKey |
MTGASXKPLWBSEL-HYMLKPMKSA-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