General Information of the Compound
| Compound ID |
CP0125380
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| Compound Name |
CID25105707
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)n1c2ccccc2c2ccccc12
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| InChI |
InChI=1S/C27H27N5O2/c33-26(32-23-10-4-1-7-20(23)21-8-2-5-11-24(21)32)28-15-18-30-16-13-19(14-17-30)31-25-12-6-3-9-22(25)29-27(31)34/h1-12,19H,13-18H2,(H,28,33)(H,29,34)
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| InChIKey |
BJSNIBQSXKKSGB-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