General Information of the Compound
| Compound ID |
CP0908900
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| Compound Name |
SID134962299
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| Structure |
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| Formula |
C35H48N4O4S
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| Molecular Weight |
620.86
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| Canonical SMILES |
CC(C)(C)[S+]([O-])N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO
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| InChI |
InChI=1S/C35H48N4O4S/c1-35(2,3)44(42)39-25-29-24-30(34(41)36-16-8-17-38-18-21-43-22-19-38)37-33(32(29)31(39)15-20-40)28-14-7-13-27(23-28)12-6-11-26-9-4-5-10-26/h7,13-14,23-24,26,31,40H,4-5,8-11,15-22,25H2,1-3H3,(H,36,41)/t31-,44?/m0/s1
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| InChIKey |
OLTIGOGRQNQZFN-RQPUMPGKSA-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