General Information of the Compound
| Compound ID |
CP0392272
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| Compound Name |
(2S)-2,6-diamino-N-[(2R)-1-[[(1S)-2-[[(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]-2-oxo-1-phenylethyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C50H65N9O6
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| Molecular Weight |
888.127
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C50H65N9O6/c1-30(2)25-40(45(53)60)55-47(62)41(26-31(3)4)57-48(63)43(28-35-29-54-39-23-11-10-21-37(35)39)58-50(65)44(33-16-6-5-7-17-33)59-49(64)42(56-46(61)38(52)22-12-13-24-51)27-34-19-14-18-32-15-8-9-20-36(32)34/h5-11,14-21,23,29-31,38,40-44,54H,12-13,22,24-28,51-52H2,1-4H3,(H2,53,60)(H,55,62)(H,56,61)(H,57,63)(H,58,65)(H,59,64)/t38-,40-,41-,42+,43+,44-/m0/s1
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| InChIKey |
DYFGXLBXHRZEOJ-BGHTZSDSSA-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