General Information of the Compound
| Compound ID |
CP0515543
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| Compound Name |
(S)-1-((S)-2-(2-aminooctanamido)-3-(4-hydroxyphenyl)propanoyl)-N-((S)-1-((S)-1-((2R,3R,4S,5S,6S)-6-carbamoyl-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C48H62N8O11
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| Molecular Weight |
927.069
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| Canonical SMILES |
CCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(N)=O
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| InChI |
InChI=1S/C48H62N8O11/c1-2-3-4-8-15-32(49)43(62)54-36(24-28-18-20-30(57)21-19-28)48(66)56-22-11-17-37(56)46(65)53-35(25-29-26-51-33-16-10-9-14-31(29)33)44(63)52-34(23-27-12-6-5-7-13-27)45(64)55-47-40(60)38(58)39(59)41(67-47)42(50)61/h5-7,9-10,12-14,16,18-21,26,32,34-41,47,51,57-60H,2-4,8,11,15,17,22-25,49H2,1H3,(H2,50,61)(H,52,63)(H,53,65)(H,54,62)(H,55,64)/t32?,34-,35-,36-,37-,38-,39-,40+,41-,47+/m0/s1
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| InChIKey |
RXKFKCFRRZYITB-IOCIJZCLSA-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