General Information of the Compound
| Compound ID |
CP0936522
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| Compound Name |
SID144190379
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| Structure |
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| Formula |
C33H33FN4O6
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| Molecular Weight |
600.647
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| Canonical SMILES |
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1
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| InChI |
InChI=1S/C33H33FN4O6/c1-36-25-16-23(42-2)8-9-24(25)29-30(36)26(17-39)38(32(41)35-22-6-4-21(34)5-7-22)18-33(29)11-13-37(14-12-33)31(40)20-3-10-27-28(15-20)44-19-43-27/h3-10,15-16,26,39H,11-14,17-19H2,1-2H3,(H,35,41)/t26-/m0/s1
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| InChIKey |
PDBYEHSJKGAMJS-SANMLTNESA-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