General Information of the Compound
| Compound ID |
CP0344903
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| Compound Name |
(S)-2-((S)-2-((S)-2-((S)-1-((S)-2-(7-aminoheptanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C39H65N9O8
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| Molecular Weight |
788.004
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCCN)C(C)(C)C)C(O)=O
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| InChI |
InChI=1S/C39H65N9O8/c1-24(2)22-29(37(55)56)46-35(53)32(39(3,4)5)47-33(51)28(23-25-15-17-26(49)18-16-25)45-34(52)30-13-11-21-48(30)36(54)27(12-10-20-43-38(41)42)44-31(50)14-8-6-7-9-19-40/h15-18,24,27-30,32,49H,6-14,19-23,40H2,1-5H3,(H,44,50)(H,45,52)(H,46,53)(H,47,51)(H,55,56)(H4,41,42,43)/t27-,28-,29-,30-,32+/m0/s1
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| InChIKey |
QHDBAMWKJVJQNM-WRPDIKACSA-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