General Information of the Compound
| Compound ID |
CP0575115
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| Compound Name |
CHEMBL4855383
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| Formula |
C72H103ClN6O10S
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| Molecular Weight |
1280.168
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCCCCC[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/C72H103ClN6O10S/c1-52(63-23-24-64-61-22-17-56-48-60(80)25-28-71(56,2)65(61)26-29-72(63,64)3)12-7-5-6-10-32-82-34-36-84-38-39-86-42-43-88-51-58-50-78(77-76-58)31-33-83-35-37-85-40-41-87-44-45-89-67-47-55(27-30-75-67)54-14-11-13-53(46-54)49-79(59-20-18-57(74-4)19-21-59)70(81)69-68(73)62-15-8-9-16-66(62)90-69/h8-9,11,13-17,27,30,46-47,50,52,57,59-61,63-65,74,80H,5-7,10,12,18-26,28-29,31-45,48-49,51H2,1-4H3/t52-,57-,59-,60+,61+,63?,64+,65+,71+,72-/m1/s1
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| InChIKey |
MAYLQRSOBRWIOJ-WVDAXIGBSA-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