General Information of the Compound
| Compound ID |
CP0479644
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C35H61N15O7
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| Molecular Weight |
803.971
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C35H61N15O7/c1-19(2)17-27(50-31(56)25(9-6-16-45-35(41)42)47-29(54)23(46-20(3)51)7-4-14-43-33(37)38)32(57)48-24(8-5-15-44-34(39)40)30(55)49-26(28(36)53)18-21-10-12-22(52)13-11-21/h10-13,19,23-27,52H,4-9,14-18H2,1-3H3,(H2,36,53)(H,46,51)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t23-,24-,25-,26-,27-/m0/s1
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| InChIKey |
JCRVCNMDDFQPJX-IRGGMKSGSA-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