General Information of the Compound
| Compound ID |
CP0559511
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| Compound Name |
3-{(S)-3-(1H-Indol-3-yl)-2-[2-(1H-indol-3-yl)-ethoxycarbonylamino]-propionylamino}-propionic acid
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| Structure |
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| Formula |
C25H26N4O5
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| Molecular Weight |
462.506
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| Canonical SMILES |
OC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H26N4O5/c30-23(31)9-11-26-24(32)22(13-17-15-28-21-8-4-2-6-19(17)21)29-25(33)34-12-10-16-14-27-20-7-3-1-5-18(16)20/h1-8,14-15,22,27-28H,9-13H2,(H,26,32)(H,29,33)(H,30,31)/t22-/m0/s1
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| InChIKey |
YAZFQMGHZPMSNZ-QFIPXVFZSA-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