General Information of the Compound
| Compound ID |
CP0820015
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-2-carbamoyl-1-(2-furyl)allyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]pentanamide
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| Structure |
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| Formula |
C33H38N6O6
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| Molecular Weight |
614.703
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1
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| InChIKey |
BQWVVECQDZOIDS-DXLYGPJMSA-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