General Information of the Compound
| Compound ID |
CP0506051
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| Compound Name |
3-Aminomethyl-1-(3-amino-propyl)-7-dibenzylamino-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
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| Structure |
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| Formula |
C33H35N5O
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| Molecular Weight |
517.677
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| Canonical SMILES |
NCCCN1c2ccc(cc2C(=NC(CN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C33H35N5O/c34-19-10-20-38-31-18-17-28(37(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)36-30(22-35)33(38)39/h1-9,11-18,21,30H,10,19-20,22-24,34-35H2
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| InChIKey |
UWZPGFRYKMNMDN-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