General Information of the Compound
| Compound ID |
CP0457907
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| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1,2-oxazole-5-carboxamide
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| Structure |
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| Formula |
C36H63N11O8
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| Molecular Weight |
777.969
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccno1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C36H63N11O8/c1-9-21(7)28(30(37)49)46-32(51)24(16-19(3)4)44-31(50)23(12-11-14-40-36(38)39)43-27(48)18-41-35(54)29(22(8)10-2)47-33(52)25(17-20(5)6)45-34(53)26-13-15-42-55-26/h13,15,19-25,28-29H,9-12,14,16-18H2,1-8H3,(H2,37,49)(H,41,54)(H,43,48)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H4,38,39,40)/t21-,22-,23-,24-,25-,28-,29-/m0/s1
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| InChIKey |
BQZRIEZJWTYOFA-DAOOESDTSA-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