General Information of the Compound
| Compound ID |
CP0941737
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| Compound Name |
bip-tyr-thr-pro-ala-thr(obzl)-gly
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| Structure |
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| Formula |
C52H64N8O13
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| Molecular Weight |
1009.127
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)OCc1ccccc1
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| InChI |
InChI=1S/C52H64N8O13/c1-29(46(65)59-45(50(69)55-27-43(63)64)31(3)73-28-35-8-5-4-6-9-35)56-49(68)42-10-7-23-60(42)51(70)44(30(2)61)58-48(67)41(26-34-15-21-38(62)22-16-34)57-47(66)39(53)24-32-11-17-36(18-12-32)37-19-13-33(14-20-37)25-40(54)52(71)72/h4-6,8-9,11-22,29-31,39-42,44-45,61-62H,7,10,23-28,53-54H2,1-3H3,(H,55,69)(H,56,68)(H,57,66)(H,58,67)(H,59,65)(H,63,64)(H,71,72)/t29-,30+,31+,39-,40-,41-,42-,44-,45-/m0/s1
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| InChIKey |
HEYZFTDBNRPHEI-YKWJBVQMSA-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