General Information of the Compound
| Compound ID |
CP0933737
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| Compound Name |
bip-tyr-thr-ala-pro-phe
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| Structure |
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| Formula |
C45H52N6O10
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| Molecular Weight |
836.943
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| Canonical SMILES |
C[C@@H](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(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C45H52N6O10/c1-26(52)39(43(57)51-21-5-8-38(51)42(56)49-37(45(60)61)25-27-6-3-2-4-7-27)50-41(55)36(24-30-13-19-33(53)20-14-30)48-40(54)34(46)22-28-9-15-31(16-10-28)32-17-11-29(12-18-32)23-35(47)44(58)59/h2-4,6-7,9-20,26,34-39,52-53H,5,8,21-25,46-47H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H,60,61)/t26-,34+,35+,36+,37+,38+,39+/m1/s1
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| InChIKey |
WOXOMROGQFUOGC-PYZAKKTJSA-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
Protein ID: PT01487, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter