General Information of the Compound
| Compound ID |
CP0472753
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C38H60N16O8
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| Molecular Weight |
869.002
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| Canonical SMILES |
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C38H60N16O8/c39-25(4-1-15-47-36(41)42)32(59)54-29(19-22-9-13-24(56)14-10-22)35(62)52-26(5-2-16-48-37(43)44)33(60)50-20-30(57)51-27(6-3-17-49-38(45)46)34(61)53-28(31(40)58)18-21-7-11-23(55)12-8-21/h7-14,25-29,55-56H,1-6,15-20,39H2,(H2,40,58)(H,50,60)(H,51,57)(H,52,62)(H,53,61)(H,54,59)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t25-,26-,27-,28-,29-/m0/s1
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| InChIKey |
MXRZJMKOFBANST-ZIUUJSQJSA-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