General Information of the Compound
| Compound ID |
CP0823447
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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]-5-ureido-pentanamide
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| Structure |
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| Formula |
C34H40N8O7
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| Molecular Weight |
672.743
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C34H40N8O7/c1-19(30(36)44)29(28-9-5-15-49-28)42-33(47)27(17-21-18-39-25-7-3-2-6-23(21)25)41-32(46)26(8-4-14-38-34(37)48)40-31(45)24(35)16-20-10-12-22(43)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,39,43H,1,4,8,14,16-17,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H3,37,38,48)/t24-,26+,27-,29+/m0/s1
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| InChIKey |
ZZSAUFRSEPWFCG-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