General Information of the Compound
| Compound ID |
CP0578583
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| Compound Name |
CHEMBL4859799
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| Formula |
C84H127ClN6O16S
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| Molecular Weight |
1544.486
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C84H127ClN6O16S/c1-64(75-23-24-76-73-22-17-68-60-72(92)25-28-83(68,2)77(73)26-29-84(75,76)3)12-7-5-6-10-32-94-34-36-96-38-40-98-42-43-100-44-45-101-46-47-102-50-51-104-54-55-106-63-70-62-90(89-88-70)31-33-95-35-37-97-39-41-99-48-49-103-52-53-105-56-57-107-79-59-67(27-30-87-79)66-14-11-13-65(58-66)61-91(71-20-18-69(86-4)19-21-71)82(93)81-80(85)74-15-8-9-16-78(74)108-81/h8-9,11,13-17,27,30,58-59,62,64,69,71-73,75-77,86,92H,5-7,10,12,18-26,28-29,31-57,60-61,63H2,1-4H3/t64-,69-,71-,72+,73+,75?,76+,77+,83+,84-/m1/s1
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| InChIKey |
NQQFALOMNWRCGD-OQUMZBJMSA-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