General Information of the Compound
| Compound ID |
CP0459897
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| Compound Name |
(2S)-7-[(E)-3-hydroxyprop-1-enyl]-4-(3-methylbutyl)-2-(2-methylpropyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-one
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| Structure |
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| Formula |
C21H32N2O2
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| Molecular Weight |
344.499
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| Canonical SMILES |
CC(C)CCN1Cc2cc(\C=C\CO)ccc2N[C@@H](CC(C)C)C1=O
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| InChI |
InChI=1S/C21H32N2O2/c1-15(2)9-10-23-14-18-13-17(6-5-11-24)7-8-19(18)22-20(21(23)25)12-16(3)4/h5-8,13,15-16,20,22,24H,9-12,14H2,1-4H3/b6-5+/t20-/m0/s1
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| InChIKey |
PKRRUXRERGMYKC-XJDXJNMNSA-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