General Information of the Compound
| Compound ID |
CP0532449
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| Compound Name |
2-[3-[3-[(diaminomethylideneamino)methyl]-7-(dibenzylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propyl]guanidine
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| Structure |
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| Formula |
C35H39N9O
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| Molecular Weight |
601.759
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| Canonical SMILES |
NC(N)=NCC1N=C(c2ccccc2)c2cc(ccc2N(CCCNC(N)=N)C1=O)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C35H39N9O/c36-34(37)40-19-10-20-44-31-18-17-28(43(23-25-11-4-1-5-12-25)24-26-13-6-2-7-14-26)21-29(31)32(27-15-8-3-9-16-27)42-30(33(44)45)22-41-35(38)39/h1-9,11-18,21,30H,10,19-20,22-24H2,(H4,36,37,40)(H4,38,39,41)
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| InChIKey |
LPYWCJNVFOCEBX-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