General Information of the Compound
| Compound ID |
CP0365952
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| Compound Name |
2-[10-(2-phenoxyethyl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]-N-(piperidin-4-ylmethyl)quinolin-8-amine
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| Structure |
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| Formula |
C30H32N8O2
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| Molecular Weight |
536.64
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| Canonical SMILES |
C(CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1)Oc1ccccc1
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| InChI |
InChI=1S/C30H32N8O2/c1-2-6-23(7-3-1)39-17-15-37-16-18-40-28-26(37)20-33-38-29(35-36-30(28)38)25-10-9-22-5-4-8-24(27(22)34-25)32-19-21-11-13-31-14-12-21/h1-10,20-21,31-32H,11-19H2
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| InChIKey |
VCOMCNXJZDHONQ-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