General Information of the Compound
| Compound ID |
CP0397565
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| Compound Name |
(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[[[(2S)-2-aminopropanoyl]amino]-benzylcarbamoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
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| Structure |
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| Formula |
C40H52N10O6
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| Molecular Weight |
768.92
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| Canonical SMILES |
C[C@H](N)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C40H52N10O6/c1-25(42)36(52)49-50(24-28-15-7-4-8-16-28)40(56)45-26(2)37(53)47-34(22-29-23-44-31-18-10-9-17-30(29)31)39(55)48-33(21-27-13-5-3-6-14-27)38(54)46-32(35(43)51)19-11-12-20-41/h3-10,13-18,23,25-26,32-34,44H,11-12,19-22,24,41-42H2,1-2H3,(H2,43,51)(H,45,56)(H,46,54)(H,47,53)(H,48,55)(H,49,52)/t25-,26-,32-,33+,34-/m0/s1
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| InChIKey |
QHXNOHMVHGSCFK-ZXPXEFADSA-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