General Information of the Compound
| Compound ID |
CP0491589
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| Compound Name |
US9273014, Comparative Compound 46
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| Structure |
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| Formula |
C27H31ClN4O3
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| Molecular Weight |
495.023
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| Canonical SMILES |
CC(C)C[C@H]([C@H](CC=C)C(N)=O)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
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| InChI |
InChI=1S/C27H31ClN4O3/c1-5-9-19(24(29)33)20(14-16(2)3)26(34)31-25-27(35)32(4)22-13-12-18(28)15-21(22)23(30-25)17-10-7-6-8-11-17/h5-8,10-13,15-16,19-20,25H,1,9,14H2,2-4H3,(H2,29,33)(H,31,34)/t19-,20+,25+/m0/s1
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| InChIKey |
NFSUDFPUVQNBSA-WZOHSFFVSA-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: PT06709, Recombining binding protein suppressor of hairless