General Information of the Compound
| Compound ID |
CP0085436
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| Compound Name |
A-836339
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| Formula |
C16H26N2O2S
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| Molecular Weight |
310.463
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| Canonical SMILES |
COCCn1c(C)c(C)s\c1=N/C(=O)C1C(C)(C)C1(C)C
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| InChI |
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3/b17-14-
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| InChIKey |
JKGIMVBQKSRTGX-VKAVYKQESA-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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