General Information of the Compound
| Compound ID |
CP0567752
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| Compound Name |
(2S)-6-amino-N-[5-[[5-[[5-[[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]amino]-5-oxopentyl]amino]-5-oxopentyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide
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| Structure |
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| Formula |
C49H76N14O9
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| Molecular Weight |
1005.236
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCCCCC(=O)NCCCCC(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C49H76N14O9/c50-23-7-3-14-39(62-48(72)40(28-32-19-21-34(64)22-20-32)63-46(70)36(51)29-33-30-59-37-13-2-1-12-35(33)37)47(71)57-26-10-6-17-42(66)55-24-8-4-16-41(65)56-25-9-5-18-43(67)60-31-44(68)61-38(45(52)69)15-11-27-58-49(53)54/h1-2,12-13,19-22,30,36,38-40,59,64H,3-11,14-18,23-29,31,50-51H2,(H2,52,69)(H,55,66)(H,56,65)(H,57,71)(H,60,67)(H,61,68)(H,62,72)(H,63,70)(H4,53,54,58)/t36-,38-,39-,40-/m0/s1
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| InChIKey |
YYQFFBQAQSJOGL-SCIHARDTSA-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