General Information of the Compound
| Compound ID |
CP0530307
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-8-chloro-5-cyclohexyl-3-(dimethylamino)-3H-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C25H32ClN5O
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| Molecular Weight |
454.018
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| Canonical SMILES |
CN(C)C1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O
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| InChI |
InChI=1S/C25H32ClN5O/c1-30(2)24-25(32)31(20-11-9-19(10-12-20)28-15-14-27)22-16-18(26)8-13-21(22)23(29-24)17-6-4-3-5-7-17/h8-13,16-17,24,28H,3-7,14-15,27H2,1-2H3
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| InChIKey |
AHGBTLWIVWTCMX-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