General Information of the Compound
| Compound ID |
CP0532280
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| Compound Name |
CHEMBL4635670
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| Formula |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1ccnc(O)c1
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| InChI |
InChI=1S/C25H31N5O3/c1-4-33-25(32)19-14-27-21-10-9-20(17-11-12-26-22(31)13-17)29-24(21)23(19)28-18-7-5-16(6-8-18)15-30(2)3/h9-14,16,18H,4-8,15H2,1-3H3,(H,26,31)(H,27,28)/t16-,18-
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| InChIKey |
KZMKCLRLBRXSLL-SAABIXHNSA-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