General Information of the Compound
| Compound ID |
CP0042163
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N'-[2-oxo-2-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)ethyl]pentanediamide
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| Structure |
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| Formula |
C60H70N10O8
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| Molecular Weight |
1059.282
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C60H70N10O8/c61-48(35-42-22-24-46(71)25-23-42)60(78)69-31-12-21-53(69)59(77)67-52(37-43-38-63-49-20-11-10-19-47(43)49)58(76)66-51(36-41-15-6-2-7-16-41)57(75)65-50(56(62)74)26-27-54(72)64-39-55(73)70(44-17-8-3-9-18-44)45-29-33-68(34-30-45)32-28-40-13-4-1-5-14-40/h1-11,13-20,22-25,38,45,48,50-53,63,71H,12,21,26-37,39,61H2,(H2,62,74)(H,64,72)(H,65,75)(H,66,76)(H,67,77)/t48-,50-,51-,52-,53-/m0/s1
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| InChIKey |
OXWUDPZQSYWZFQ-HDUUNEDUSA-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