General Information of the Compound
| Compound ID |
CP0385618
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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]furan-2-carboxamide
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| Structure |
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| Formula |
C37H64N10O8
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| Molecular Weight |
776.981
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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)c1ccco1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C37H64N10O8/c1-9-22(7)29(31(38)49)46-33(51)25(17-20(3)4)44-32(50)24(13-11-15-41-37(39)40)43-28(48)19-42-36(54)30(23(8)10-2)47-34(52)26(18-21(5)6)45-35(53)27-14-12-16-55-27/h12,14,16,20-26,29-30H,9-11,13,15,17-19H2,1-8H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-,30-/m0/s1
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| InChIKey |
ZKEUDOBGDIUSRQ-MBBAHBRISA-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