General Information of the Compound
| Compound ID |
CP0568160
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| Compound Name |
US9221831, 25
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| Structure |
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| Formula |
C35H41NO5S
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| Molecular Weight |
587.782
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C35H41NO5S/c1-38-35-11-10-33(18-25(35)20-39-21-26-16-23-4-2-3-5-28(23)42-26)29-17-24-8-9-27(40-15-14-37)31-30(24)34(33,32(35)41-31)12-13-36(29)19-22-6-7-22/h2-5,8-9,16,22,25,29,32,37H,6-7,10-15,17-21H2,1H3/t25-,29-,32-,33-,34+,35-/m1/s1
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| InChIKey |
CLVRCDVMIOGLTN-NNSRDABESA-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