General Information of the Compound
| Compound ID |
CP0505075
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| Compound Name |
N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C51H67N11O9
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| Molecular Weight |
978.165
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C51H67N11O9/c52-44(66)38(22-31-11-4-1-5-12-31)60-45(67)37(17-10-18-55-50(53)54)59-47(69)40(24-33-15-8-3-9-16-33)61-48(70)41(30-63)62-46(68)39(23-32-13-6-2-7-14-32)58-43(65)29-56-42(64)28-57-49(71)51-25-34-19-35(26-51)21-36(20-34)27-51/h1-9,11-16,34-41,63H,10,17-30H2,(H2,52,66)(H,56,64)(H,57,71)(H,58,65)(H,59,69)(H,60,67)(H,61,70)(H,62,68)(H4,53,54,55)/t34?,35?,36?,37-,38-,39-,40-,41-,51?/m0/s1
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| InChIKey |
FWGGWXSJJJROJY-YPZZCOPESA-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