General Information of the Compound
| Compound ID |
CP0533941
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| Compound Name |
US8536198, 106
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| Structure |
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| Formula |
C26H40ClN3O4
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| Molecular Weight |
494.076
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| Canonical SMILES |
C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O
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| InChI |
InChI=1S/C26H40ClN3O4/c1-17(25(4,5)33)28-23(32)29-21-9-7-6-8-20(21)22(31)30-15-14-26(34,24(2,3)16-30)18-10-12-19(27)13-11-18/h10-13,17,20-21,33-34H,6-9,14-16H2,1-5H3,(H2,28,29,32)/t17-,20-,21+,26-/m0/s1
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| InChIKey |
VCMFGPLAKZYOMF-SDIFJKIHSA-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