General Information of the Compound
| Compound ID |
CP0498319
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| Compound Name |
benzyl 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]carbamate
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| Structure |
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| Formula |
C48H59N11O10
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| Molecular Weight |
950.067
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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)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C48H59N11O10/c49-42(63)36(24-31-14-5-1-6-15-31)57-43(64)35(22-13-23-52-47(50)51)56-45(66)38(26-33-18-9-3-10-19-33)58-46(67)39(29-60)59-44(65)37(25-32-16-7-2-8-17-32)55-41(62)28-53-40(61)27-54-48(68)69-30-34-20-11-4-12-21-34/h1-12,14-21,35-39,60H,13,22-30H2,(H2,49,63)(H,53,61)(H,54,68)(H,55,62)(H,56,66)(H,57,64)(H,58,67)(H,59,65)(H4,50,51,52)/t35-,36-,37-,38-,39-/m0/s1
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| InChIKey |
KGXUUMWPGXSHMV-MQDBWYGVSA-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