General Information of the Compound
| Compound ID |
CP0505443
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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]-2-hydroxybenzamide
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| Structure |
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| Formula |
C39H66N10O8
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| Molecular Weight |
803.019
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1O)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C39H66N10O8/c1-9-23(7)31(33(40)52)48-36(55)28(19-22(5)6)47-35(54)26(15-13-17-43-39(41)42)45-30(51)20-44-38(57)32(24(8)10-2)49-37(56)27(18-21(3)4)46-34(53)25-14-11-12-16-29(25)50/h11-12,14,16,21-24,26-28,31-32,50H,9-10,13,15,17-20H2,1-8H3,(H2,40,52)(H,44,57)(H,45,51)(H,46,53)(H,47,54)(H,48,55)(H,49,56)(H4,41,42,43)/t23-,24-,26-,27-,28-,31-,32-/m0/s1
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| InChIKey |
VCFGBNRPEKBRLU-VDEVXPDQSA-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