General Information of the Compound
| Compound ID |
CP0441805
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| Compound Name |
Ac-Phe-Orn-Pro-cha-Trp-Arg-NH2
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| Structure |
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| Formula |
C47H68N12O7
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| Molecular Weight |
913.138
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
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| InChI |
InChI=1S/C47H68N12O7/c1-29(60)54-37(25-30-13-4-2-5-14-30)42(62)56-36(19-10-22-48)46(66)59-24-12-21-40(59)45(65)58-38(26-31-15-6-3-7-16-31)43(63)57-39(27-32-28-53-34-18-9-8-17-33(32)34)44(64)55-35(41(49)61)20-11-23-52-47(50)51/h2,4-5,8-9,13-14,17-18,28,31,35-40,53H,3,6-7,10-12,15-16,19-27,48H2,1H3,(H2,49,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H4,50,51,52)/t35-,36+,37+,38-,39-,40+/m1/s1
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| InChIKey |
WWCYUDAAZZAHQN-ZLXQMGRNSA-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