General Information of the Compound
| Compound ID |
CP0429505
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| Compound Name |
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-3-phenyl-2-[[2-[[[(2S)-3-phenyl-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]amino]-propylamino]acetyl]amino]propanoyl]amino]pentanamide
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| Structure |
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| Formula |
C44H62N12O6
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| Molecular Weight |
855.058
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| Canonical SMILES |
CCCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1
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| InChI |
InChI=1S/C44H62N12O6/c1-2-23-56(54-43(62)37(28-33-17-10-5-11-18-33)51-38(57)29-55-24-21-48-22-25-55)30-39(58)50-36(27-32-15-8-4-9-16-32)42(61)52-34(19-12-20-49-44(46)47)41(60)53-35(40(45)59)26-31-13-6-3-7-14-31/h3-11,13-18,34-37,48H,2,12,19-30H2,1H3,(H2,45,59)(H,50,58)(H,51,57)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t34-,35-,36-,37-/m0/s1
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| InChIKey |
QOWHQKBNROMXRT-BQYLNSIHSA-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