General Information of the Compound
| Compound ID |
CP0445285
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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-naphthalen-1-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 |
C53H68N8O6
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| Molecular Weight |
913.177
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)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/C53H68N8O6/c1-33(2)28-43(48(56)62)57-50(64)44(29-34(3)4)59-53(67)47(32-39-23-15-21-37-19-9-11-25-41(37)39)61-51(65)45(30-35-16-6-5-7-17-35)60-52(66)46(58-49(63)42(55)26-12-13-27-54)31-38-22-14-20-36-18-8-10-24-40(36)38/h5-11,14-25,33-34,42-47H,12-13,26-32,54-55H2,1-4H3,(H2,56,62)(H,57,64)(H,58,63)(H,59,67)(H,60,66)(H,61,65)/t42-,43-,44-,45-,46+,47+/m0/s1
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| InChIKey |
SWZYIRPDDPOASE-BKJZJYPPSA-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