General Information of the Compound
| Compound ID |
CP0555806
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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-[3-[8-(2-phenylmethoxyphenyl)octyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C47H69N8O12P
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| Molecular Weight |
969.087
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1OCc1ccccc1)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/C47H69N8O12P/c1-31(2)25-37(51-47(62)40-21-16-24-55(40)33(4)57)44(59)50-38(45(60)52-39(28-56)46(61)53-42(43(48)58)32(3)67-68(63,64)65)26-36-27-49-30-54(36)23-15-8-6-5-7-12-19-35-20-13-14-22-41(35)66-29-34-17-10-9-11-18-34/h9-11,13-14,17-18,20,22,27,30-32,37-40,42,56H,5-8,12,15-16,19,21,23-26,28-29H2,1-4H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H2,63,64,65)/t32-,37+,38+,39+,40+,42+/m1/s1
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| InChIKey |
LYLANQFTXJWIGY-SWLZGSTDSA-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