General Information of the Compound
| Compound ID |
CP0534547
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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-(4-benzoylphenyl)-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 |
C54H69N9O7
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| Molecular Weight |
956.202
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)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/C54H69N9O7/c1-33(2)27-43(49(57)65)59-51(67)44(28-34(3)4)61-52(68)46(30-36-22-24-38(25-23-36)48(64)37-17-9-6-10-18-37)62-53(69)45(29-35-15-7-5-8-16-35)63-54(70)47(60-50(66)41(56)20-13-14-26-55)31-39-32-58-42-21-12-11-19-40(39)42/h5-12,15-19,21-25,32-34,41,43-47,58H,13-14,20,26-31,55-56H2,1-4H3,(H2,57,65)(H,59,67)(H,60,66)(H,61,68)(H,62,69)(H,63,70)/t41-,43-,44-,45-,46+,47+/m0/s1
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| InChIKey |
ZGQLUMIYWSQHNV-VOFKERKXSA-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