General Information of the Compound
| Compound ID |
CP0446245
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| Compound Name |
US8916594, I-130
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| Formula |
C22H34N4O3S
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| Molecular Weight |
434.606
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(C)(C)c1ccccc1
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| InChI |
InChI=1S/C22H34N4O3S/c1-21(2,3)30(27,28)23-15-16-11-13-18(14-12-16)24-20-25-19(26-29-20)22(4,5)17-9-7-6-8-10-17/h6-10,16,18,23H,11-15H2,1-5H3,(H,24,25,26)/t16-,18-
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| InChIKey |
RZHOXJPVNANMDN-SAABIXHNSA-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