General Information of the Compound
| Compound ID |
CP0499916
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| Compound Name |
N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
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| Structure |
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| Formula |
C45H55N11O10
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| Molecular Weight |
910.002
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C45H55N11O10/c46-39(60)32(22-28-12-4-1-5-13-28)54-40(61)31(18-10-20-49-45(47)48)53-42(63)34(24-30-16-8-3-9-17-30)55-43(64)35(27-57)56-41(62)33(23-29-14-6-2-7-15-29)52-38(59)26-50-37(58)25-51-44(65)36-19-11-21-66-36/h1-9,11-17,19,21,31-35,57H,10,18,20,22-27H2,(H2,46,60)(H,50,58)(H,51,65)(H,52,59)(H,53,63)(H,54,61)(H,55,64)(H,56,62)(H4,47,48,49)/t31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
SGHOQWFLPPQZOT-ZZTWKDBPSA-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