General Information of the Compound
| Compound ID |
CP0514496
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| Compound Name |
2-[3-[3-[2-(diaminomethylideneamino)ethyl]-7-(dibenzylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propyl]guanidine
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| Structure |
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| Formula |
C36H41N9O
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| Molecular Weight |
615.786
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| Canonical SMILES |
NC(=N)NCCCN1c2ccc(cc2C(=NC(CCNC(N)=N)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C36H41N9O/c37-35(38)41-20-10-22-45-32-18-17-29(44(24-26-11-4-1-5-12-26)25-27-13-6-2-7-14-27)23-30(32)33(28-15-8-3-9-16-28)43-31(34(45)46)19-21-42-36(39)40/h1-9,11-18,23,31H,10,19-22,24-25H2,(H4,37,38,41)(H4,39,40,42)
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| InChIKey |
DGXFHHXPNBOWCF-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