General Information of the Compound
| Compound ID |
CP0173097
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| Compound Name |
(S)-2-Amino-5-guanidino-pentanoic acid ({6-[2-((S)-2-amino-5-guanidino-pentanoylamino)-acetylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-methyl)-amide
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| Structure |
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| Formula |
C30H40N12O6
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| Molecular Weight |
664.728
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| Canonical SMILES |
N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C30H40N12O6/c31-21(3-1-9-37-29(33)34)27(47)39-13-23(43)41-15-5-7-17-19(11-15)25(45)18-8-6-16(12-20(18)26(17)46)42-24(44)14-40-28(48)22(32)4-2-10-38-30(35)36/h5-8,11-12,21-22H,1-4,9-10,13-14,31-32H2,(H,39,47)(H,40,48)(H,41,43)(H,42,44)(H4,33,34,37)(H4,35,36,38)/t21-,22-/m0/s1
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| InChIKey |
VUFPPHKRSROETE-VXKWHMMOSA-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