General Information of the Compound
| Compound ID |
CP0498024
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| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[1-(8-phenyloctyl)indol-3-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C45H66N7O11P
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| Molecular Weight |
912.035
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O
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| InChI |
InChI=1S/C45H66N7O11P/c1-29(2)25-35(48-45(59)39-22-16-24-52(39)31(4)54)42(56)47-36(43(57)49-37(28-53)44(58)50-40(41(46)55)30(3)63-64(60,61)62)26-33-27-51(38-21-14-13-20-34(33)38)23-15-8-6-5-7-10-17-32-18-11-9-12-19-32/h9,11-14,18-21,27,29-30,35-37,39-40,53H,5-8,10,15-17,22-26,28H2,1-4H3,(H2,46,55)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H2,60,61,62)/t30-,35+,36+,37+,39+,40+/m1/s1
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| InChIKey |
OYUCIHXKLQGOKP-WYEJJTDISA-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