General Information of the Compound
| Compound ID |
CP0507777
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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-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C51H66N8O6S
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| Molecular Weight |
919.206
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O
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| InChI |
InChI=1S/C51H66N8O6S/c1-31(2)25-40(46(54)60)55-48(62)41(26-32(3)4)57-51(65)44(29-36-30-66-45-23-11-10-21-38(36)45)59-49(63)42(27-33-15-6-5-7-16-33)58-50(64)43(56-47(61)39(53)22-12-13-24-52)28-35-19-14-18-34-17-8-9-20-37(34)35/h5-11,14-21,23,30-32,39-44H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,60)(H,55,62)(H,56,61)(H,57,65)(H,58,64)(H,59,63)/t39-,40-,41-,42-,43+,44+/m0/s1
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| InChIKey |
LBQJADYDUIMCOY-FEHIJEOVSA-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