General Information of the Compound
| Compound ID |
CP0578524
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| Compound Name |
CHEMBL4874989
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| Formula |
C33H35F3N6O8S2
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| Molecular Weight |
764.805
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| Canonical SMILES |
Cc1c(sc2n(C[C@H](O[C@H]3C[C@@H]4CC[C@H](C3)O4)c3cc(F)ccc3OC(F)F)c(=O)n(c(=O)c12)C1(CC1)C(=O)NS(=O)(=O)C1(C)CC1)-n1nccn1
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| InChI |
InChI=1S/C33H35F3N6O8S2/c1-17-25-26(43)41(33(9-10-33)29(44)39-52(46,47)32(2)7-8-32)31(45)40(28(25)51-27(17)42-37-11-12-38-42)16-24(49-21-14-19-4-5-20(15-21)48-19)22-13-18(34)3-6-23(22)50-30(35)36/h3,6,11-13,19-21,24,30H,4-5,7-10,14-16H2,1-2H3,(H,39,44)/t19-,20+,21-,24-/m0/s1
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| InChIKey |
MAKDUYCCZWMZJD-XARGGIHNSA-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