General Information of the Compound
| Compound ID |
CP0518554
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| Compound Name |
US8901315, 428
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| Formula |
C26H39N5O3S
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| Molecular Weight |
501.697
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| Canonical SMILES |
CN(C)C(=O)C1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCOCC3)c2s1
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| InChI |
InChI=1S/C26H39N5O3S/c1-17-22-16-23(35-26(22)31(28-17)21-10-14-34-15-11-21)24(32)27-19-4-6-20(7-5-19)30-12-8-18(9-13-30)25(33)29(2)3/h16,18-21H,4-15H2,1-3H3,(H,27,32)/t19-,20-
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| InChIKey |
HCKLHNWTXYXUOH-MXVIHJGJSA-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