General Information of the Compound
| Compound ID |
CP0445286
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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]-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C47H67N9O6
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| Molecular Weight |
854.11
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| Canonical SMILES |
CCC[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
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| InChI |
InChI=1S/C47H67N9O6/c1-6-14-37(52-46(61)40(54-43(58)35(49)20-11-12-22-48)25-31-17-13-16-30-15-7-8-18-33(30)31)44(59)56-41(26-32-27-51-36-21-10-9-19-34(32)36)47(62)55-39(24-29(4)5)45(60)53-38(42(50)57)23-28(2)3/h7-10,13,15-19,21,27-29,35,37-41,51H,6,11-12,14,20,22-26,48-49H2,1-5H3,(H2,50,57)(H,52,61)(H,53,60)(H,54,58)(H,55,62)(H,56,59)/t35-,37-,38-,39-,40+,41+/m0/s1
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| InChIKey |
QIPZHWXETDCSIF-PCFUYWRPSA-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