General Information of the Compound
| Compound ID |
CP0535712
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| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-oxo-5-(7-phenylheptylamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C38H62N7O12P
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| Molecular Weight |
839.925
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCC(=O)NCCCCCCCc1ccccc1)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/C38H62N7O12P/c1-24(2)22-29(42-38(53)31-17-13-21-45(31)26(4)47)36(51)41-28(18-19-32(48)40-20-12-7-5-6-9-14-27-15-10-8-11-16-27)35(50)43-30(23-46)37(52)44-33(34(39)49)25(3)57-58(54,55)56/h8,10-11,15-16,24-25,28-31,33,46H,5-7,9,12-14,17-23H2,1-4H3,(H2,39,49)(H,40,48)(H,41,51)(H,42,53)(H,43,50)(H,44,52)(H2,54,55,56)/t25-,28+,29+,30+,31+,33+/m1/s1
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| InChIKey |
UQVVKCSRCFXOOS-KIUCONSDSA-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