General Information of the Compound
| Compound ID |
CP0489417
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| Compound Name |
5-[(1-Carbamimidoyl-piperidine-4-carbonyl)-amino]-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C30H38N10O2
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| Molecular Weight |
570.702
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| Canonical SMILES |
NC(N)=NCCCn1c(cc2cc(NC(=O)C3CCN(CC3)C(N)=N)ccc12)C(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C30H38N10O2/c31-29(32)36-11-3-13-40-25-7-6-22(38-27(41)19-9-14-39(15-10-19)30(33)34)16-21(25)17-26(40)28(42)35-12-8-20-18-37-24-5-2-1-4-23(20)24/h1-2,4-7,16-19,37H,3,8-15H2,(H3,33,34)(H,35,42)(H,38,41)(H4,31,32,36)
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| InChIKey |
LNFFAWJXUOAUHO-UHFFFAOYSA-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