General Information of the Compound
| Compound ID |
CP0533022
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| Compound Name |
[(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-8-[(3R,4S,6R)-4-[bis(cyclopropylmethyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-15-[2-(3,4-dichlorophenyl)ethyl]-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl] (4S)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
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| Structure |
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| Formula |
C50H73Cl2N3O13
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| Molecular Weight |
995.048
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| Canonical SMILES |
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(CC2CC2)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
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| InChI |
InChI=1S/C50H73Cl2N3O13/c1-11-38-50(9)42(54(46(59)68-50)19-18-32-16-17-35(51)36(52)21-32)29(5)39(56)26(2)22-49(8,62-10)43(30(6)41(31(7)44(58)65-38)66-48(61)55-27(3)25-63-47(55)60)67-45-40(57)37(20-28(4)64-45)53(23-33-12-13-33)24-34-14-15-34/h16-17,21,26-31,33-34,37-38,40-43,45,57H,11-15,18-20,22-25H2,1-10H3/t26-,27+,28-,29+,30+,31-,37+,38-,40-,41+,42-,43-,45?,49+,50-/m1/s1
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| InChIKey |
UQOZGHIVBUARBG-FEYWCLOZSA-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