General Information of the Compound
| Compound ID |
CP0060919
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| Compound Name |
CHEMBL2086754
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| Formula |
C30H31N5O
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| Molecular Weight |
477.612
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| Canonical SMILES |
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccc(C)cc3)c2c1
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| InChI |
InChI=1S/C30H31N5O/c1-3-35-16-14-21(15-17-35)31-22-12-13-24-23(18-22)28(30(36)34-24)27(20-10-8-19(2)9-11-20)29-32-25-6-4-5-7-26(25)33-29/h4-13,18,21,31H,3,14-17H2,1-2H3,(H,32,33)(H,34,36)
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| InChIKey |
ACSSIWPJCYCXGD-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