General Information of the Compound
| Compound ID |
CP0503445
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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]benzamide
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| Structure |
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| Formula |
C47H57N11O9
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| Molecular Weight |
920.041
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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)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C47H57N11O9/c48-41(62)35(24-30-14-5-1-6-15-30)56-43(64)34(22-13-23-51-47(49)50)55-45(66)37(26-32-18-9-3-10-19-32)57-46(67)38(29-59)58-44(65)36(25-31-16-7-2-8-17-31)54-40(61)28-52-39(60)27-53-42(63)33-20-11-4-12-21-33/h1-12,14-21,34-38,59H,13,22-29H2,(H2,48,62)(H,52,60)(H,53,63)(H,54,61)(H,55,66)(H,56,64)(H,57,67)(H,58,65)(H4,49,50,51)/t34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
LSRUOTXCAFYCOJ-LQWITFIISA-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