General Information of the Compound
| Compound ID |
CP0404851
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| Compound Name |
[(1R)-1-[(3S,6S,9S,12S,15S)-3-carbamoyl-9-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-19-[2-(1H-indol-3-yl)ethyl]-15-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclohenicos-6-yl]ethyl] dihydrogen phosphate
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| Structure |
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| Formula |
C36H51N10O12PS
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| Molecular Weight |
878.903
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)CN(CCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O
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| InChI |
InChI=1S/C36H51N10O12PS/c1-19(2)10-25-33(51)42-26(11-22-13-38-18-40-22)34(52)43-27(15-47)35(53)45-31(20(3)58-59(55,56)57)36(54)44-28(32(37)50)16-60-17-30(49)46(14-29(48)41-25)9-8-21-12-39-24-7-5-4-6-23(21)24/h4-7,12-13,18-20,25-28,31,39,47H,8-11,14-17H2,1-3H3,(H2,37,50)(H,38,40)(H,41,48)(H,42,51)(H,43,52)(H,44,54)(H,45,53)(H2,55,56,57)/t20-,25+,26+,27+,28-,31+/m1/s1
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| InChIKey |
DDUIKWXPFWIAGL-OMAZYLPNSA-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