General Information of the Compound
| Compound ID |
CP0944504
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| Compound Name |
2-[(R)-[[(2S)-2-[[(2R)-3-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-(2-furyl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C31H35N7O6
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| Molecular Weight |
601.664
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C31H35N7O6/c1-17(28(34)40)27(26-7-4-12-44-26)38-30(42)24(14-19-16-35-23-6-3-2-5-21(19)23)36-31(43)25(15-32)37-29(41)22(33)13-18-8-10-20(39)11-9-18/h2-12,16,22,24-25,27,35,39H,1,13-15,32-33H2,(H2,34,40)(H,36,43)(H,37,41)(H,38,42)/t22-,24-,25+,27+/m0/s1
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| InChIKey |
SRKVPMHRTMVFDF-ZFOJSEFRSA-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