General Information of the Compound
| Compound ID |
CP0408455
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C43H47IN8O5
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| Molecular Weight |
882.804
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
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| InChI |
InChI=1S/C43H47IN8O5/c1-26(53)49-37(25-29-13-17-31-8-3-5-10-33(31)22-29)41(56)50-35(11-6-20-48-43(46)47)40(55)52-38(23-27-14-18-34(44)19-15-27)42(57)51-36(39(45)54)24-28-12-16-30-7-2-4-9-32(30)21-28/h2-5,7-10,12-19,21-22,35-38H,6,11,20,23-25H2,1H3,(H2,45,54)(H,49,53)(H,50,56)(H,51,57)(H,52,55)(H4,46,47,48)/t35-,36+,37-,38+/m0/s1
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| InChIKey |
OUNKXHZNGYZMNG-WCTYMAGYSA-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