General Information of the Compound
| Compound ID |
CP0488221
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| Compound Name |
3-[(S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-propionic acid
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| Structure |
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| Formula |
C22H23N3O5
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| Molecular Weight |
409.442
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| Canonical SMILES |
OC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H23N3O5/c26-20(27)10-11-23-21(28)19(12-16-13-24-18-9-5-4-8-17(16)18)25-22(29)30-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,28)(H,25,29)(H,26,27)/t19-/m0/s1
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| InChIKey |
GNTYQHBOBNXATQ-IBGZPJMESA-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