General Information of the Compound
| Compound ID |
CP0507540
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| Compound Name |
4-amino-1-[(2R)-6-amino-2-[[(2R)-4-methyl-2-[[(2R)-3-phenyl-2-[[1-(2-phenylethylamino)cyclopropanecarbonyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
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| Formula |
C39H57N7O6
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| Molecular Weight |
719.928
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CC1)NCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
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| InChI |
InChI=1S/C39H57N7O6/c1-27(2)25-31(33(47)43-30(15-9-10-21-40)35(49)46-23-19-38(41,20-24-46)37(51)52)44-34(48)32(26-29-13-7-4-8-14-29)45-36(50)39(17-18-39)42-22-16-28-11-5-3-6-12-28/h3-8,11-14,27,30-32,42H,9-10,15-26,40-41H2,1-2H3,(H,43,47)(H,44,48)(H,45,50)(H,51,52)/t30-,31-,32-/m1/s1
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| InChIKey |
IWIUSRUHPDVEIO-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