General Information of the Compound
| Compound ID |
CP0411268
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| Compound Name |
2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(non-8-enoylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3-prop-2-enylphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C44H70N6O8
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| Molecular Weight |
811.078
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(CC=C)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCCCC=C)C(=O)NC(CC(C)C)C(O)=O
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| InChI |
InChI=1S/C44H70N6O8/c1-7-10-11-12-13-14-21-38(52)46-33(19-15-16-24-45)43(56)50-25-17-20-36(50)41(54)47-34(28-31-22-23-37(51)32(27-31)18-8-2)40(53)49-39(30(6)9-3)42(55)48-35(44(57)58)26-29(4)5/h7-8,22-23,27,29-30,33-36,39,51H,1-2,9-21,24-26,28,45H2,3-6H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)/t30-,33-,34-,35?,36-,39-/m0/s1
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| InChIKey |
QAZZBGJVKCGKJM-YYSSFDMYSA-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