General Information of the Compound
| Compound ID |
CP0512059
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| Compound Name |
Ac-Phe-Orn-Pro-cha-Trp-Nle-NH2
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| Structure |
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| Formula |
C47H67N9O7
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| Molecular Weight |
870.109
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| Canonical SMILES |
CCCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O
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| InChI |
InChI=1S/C47H67N9O7/c1-3-4-20-36(42(49)58)52-45(61)40(28-33-29-50-35-21-12-11-19-34(33)35)54-44(60)39(27-32-17-9-6-10-18-32)55-46(62)41-23-14-25-56(41)47(63)37(22-13-24-48)53-43(59)38(51-30(2)57)26-31-15-7-5-8-16-31/h5,7-8,11-12,15-16,19,21,29,32,36-41,50H,3-4,6,9-10,13-14,17-18,20,22-28,48H2,1-2H3,(H2,49,58)(H,51,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)/t36-,37+,38+,39-,40-,41+/m1/s1
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| InChIKey |
RBRLFMSWWXGMNN-HQDDLRASSA-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