General Information of the Compound
| Compound ID |
CP0510199
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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-phenoxyphenyl)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 |
C46H67N8O12P
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| Molecular Weight |
955.06
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1Oc1ccccc1)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/C46H67N8O12P/c1-30(2)25-36(50-46(61)39-21-16-24-54(39)32(4)56)43(58)49-37(44(59)51-38(28-55)45(60)52-41(42(47)57)31(3)66-67(62,63)64)26-34-27-48-29-53(34)23-15-8-6-5-7-10-17-33-18-13-14-22-40(33)65-35-19-11-9-12-20-35/h9,11-14,18-20,22,27,29-31,36-39,41,55H,5-8,10,15-17,21,23-26,28H2,1-4H3,(H2,47,57)(H,49,58)(H,50,61)(H,51,59)(H,52,60)(H2,62,63,64)/t31-,36+,37+,38+,39+,41+/m1/s1
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| InChIKey |
GXROUISBNDMFKO-WTZADEQLSA-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