General Information of the Compound
| Compound ID |
CP0966601
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| Compound Name |
SID131412470
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| Structure |
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| Formula |
C42H52ClN5O7S
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| Molecular Weight |
806.426
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
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| InChI |
InChI=1S/C42H52ClN5O7S/c1-28-24-48(29(2)27-49)42(51)36-23-34(46-56(52,53)35-19-16-33(43)17-20-35)18-21-39(36)55-30(3)9-7-8-22-54-40(28)26-47(4)25-31-12-14-32(15-13-31)41(50)45-38-11-6-5-10-37(38)44/h5-6,10-21,23,28-30,40,46,49H,7-9,22,24-27,44H2,1-4H3,(H,45,50)/t28-,29-,30+,40+/m0/s1
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| InChIKey |
DVNKZOFDASKPOO-OKUKWLBTSA-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