General Information of the Compound
| Compound ID |
CP0426401
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| Compound Name |
4-amino-1-[(2R)-6-amino-2-[[(2R)-4-methyl-2-[[(2R)-2-[[2-[(2-methyl-2-phenylpropyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C39H59N7O6
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| Molecular Weight |
721.944
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCC(C)(C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
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| InChI |
InChI=1S/C39H59N7O6/c1-27(2)23-31(34(48)44-30(17-11-12-20-40)36(50)46-21-18-39(41,19-22-46)37(51)52)45-35(49)32(24-28-13-7-5-8-14-28)43-33(47)25-42-26-38(3,4)29-15-9-6-10-16-29/h5-10,13-16,27,30-32,42H,11-12,17-26,40-41H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,51,52)/t30-,31-,32-/m1/s1
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| InChIKey |
JHOIBSULBOVSGG-XWHIBYANSA-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