General Information of the Compound
| Compound ID |
CP0399658
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| Compound Name |
(2S,3R)-3-(2,2-dimethylpropyl)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-pentan-3-ylbutanediamide
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| Structure |
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| Formula |
C30H40N4O3
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| Molecular Weight |
504.675
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| Canonical SMILES |
CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
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| InChI |
InChI=1S/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/m1/s1
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| InChIKey |
GKQMFTFKNTUDIV-RWCIVJTCSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT04261, Neurogenic locus notch homolog protein 3