General Information of the Compound
| Compound ID |
CP0565973
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| Compound Name |
(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[[[(2R)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-(2-methylpropyl)carbamoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
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| Structure |
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| Formula |
C44H57N11O6
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| Molecular Weight |
836.011
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| Canonical SMILES |
CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C44H57N11O6/c1-27(2)26-55(54-43(60)38(50-39(56)23-46)22-30-25-49-34-17-9-7-15-32(30)34)44(61)53-37(21-29-24-48-33-16-8-6-14-31(29)33)42(59)52-36(20-28-12-4-3-5-13-28)41(58)51-35(40(47)57)18-10-11-19-45/h3-9,12-17,24-25,27,35-38,48-49H,10-11,18-23,26,45-46H2,1-2H3,(H2,47,57)(H,50,56)(H,51,58)(H,52,59)(H,53,61)(H,54,60)/t35-,36+,37-,38+/m0/s1
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| InChIKey |
UFRTUGJWFAJUSD-WCTYMAGYSA-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