General Information of the Compound
| Compound ID |
CP0340226
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| Compound Name |
US9266869, 13
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| Structure |
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| Formula |
C32H39N5O6S
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| Molecular Weight |
621.76
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(=O)CCCN1CCN(CCOCCO)CC1
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| InChI |
InChI=1S/C32H39N5O6S/c1-25-9-17-43-30(25)32(40)34-29-6-3-5-26(22-29)7-8-27-21-28(24-33-23-27)31(39)35-44(2,41)20-4-10-36-11-13-37(14-12-36)15-18-42-19-16-38/h3,5-6,9,17,21-24,38H,4,10-16,18-20H2,1-2H3,(H,34,40)
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| InChIKey |
CGBWGVMWDUMHFQ-UHFFFAOYSA-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