General Information of the Compound
| Compound ID |
CP0472783
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| Compound Name |
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C37H64N16O8
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| Molecular Weight |
861.023
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=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/C37H64N16O8/c1-20(2)17-28(34(61)51-26(9-6-16-47-37(43)44)33(60)52-27(30(38)57)18-22-10-12-23(55)13-11-22)53-32(59)25(8-5-15-46-36(41)42)50-29(56)19-48-31(58)24(49-21(3)54)7-4-14-45-35(39)40/h10-13,20,24-28,55H,4-9,14-19H2,1-3H3,(H2,38,57)(H,48,58)(H,49,54)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H4,39,40,45)(H4,41,42,46)(H4,43,44,47)/t24-,25-,26-,27-,28-/m0/s1
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| InChIKey |
RHDNRNGJWSBVDU-XLIKFSOKSA-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