General Information of the Compound
| Compound ID |
CP0411418
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| Compound Name |
(2S)-1-acetyl-N-[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C33H42N6O5
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| Molecular Weight |
602.736
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C33H42N6O5/c1-3-4-14-26(31(42)37-27(30(34)41)19-23-20-35-25-15-9-8-13-24(23)25)36-32(43)28(18-22-11-6-5-7-12-22)38-33(44)29-16-10-17-39(29)21(2)40/h5-9,11-13,15,20,26-29,35H,3-4,10,14,16-19H2,1-2H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+,29-/m0/s1
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| InChIKey |
BJIRDXKDSXCHPN-FKWFRFQNSA-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