General Information of the Compound
| Compound ID |
CP0456719
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| Compound Name |
(2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C55H75N9O6
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| Molecular Weight |
958.262
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O
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| InChI |
InChI=1S/C55H75N9O6/c1-33(2)27-44(49(58)65)60-51(67)45(28-34(3)4)62-54(70)48(31-38-32-59-43-21-11-10-19-41(38)43)64-52(68)46(29-35-22-24-39(25-23-35)55(5,6)7)63-53(69)47(61-50(66)42(57)20-12-13-26-56)30-37-17-14-16-36-15-8-9-18-40(36)37/h8-11,14-19,21-25,32-34,42,44-48,59H,12-13,20,26-31,56-57H2,1-7H3,(H2,58,65)(H,60,67)(H,61,66)(H,62,70)(H,63,69)(H,64,68)/t42-,44-,45-,46-,47+,48+/m0/s1
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| InChIKey |
WGLGHUZBJYIOGQ-VIYPHALDSA-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