General Information of the Compound
| Compound ID |
CP0413881
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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-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C49H65N9O6S
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| Molecular Weight |
908.183
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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](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O
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| InChI |
InChI=1S/C49H65N9O6S/c1-29(2)22-38(44(52)59)54-46(61)39(23-30(3)4)56-49(64)42(26-33-28-65-43-20-11-9-17-35(33)43)58-47(62)40(24-31-14-6-5-7-15-31)57-48(63)41(55-45(60)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,38-42,53H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,59)(H,54,61)(H,55,60)(H,56,64)(H,57,63)(H,58,62)/t36-,38-,39-,40-,41+,42+/m0/s1
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| InChIKey |
ZFYMCRVLLKOPKA-XDOKRNFKSA-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