General Information of the Compound
| Compound ID |
CP0271592
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| Compound Name |
N-[(2S)-1-[[(2S)-6-amino-1-[[(1R)-2-amino-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide
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| Structure |
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| Formula |
C34H44N8O5
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| Molecular Weight |
644.777
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C34H44N8O5/c35-20-8-7-14-27(41-32(45)28(15-9-21-39-34(37)38)40-31(44)25-12-5-2-6-13-25)33(46)42-29(30(36)43)24-16-18-26(19-17-24)47-22-23-10-3-1-4-11-23/h1-6,10-13,16-19,27-29H,7-9,14-15,20-22,35H2,(H2,36,43)(H,40,44)(H,41,45)(H,42,46)(H4,37,38,39)/t27-,28-,29+/m0/s1
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| InChIKey |
HFILJVMGCLLRPV-YTCPBCGMSA-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