General Information of the Compound
| Compound ID |
CP0386769
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| Compound Name |
CHEMBL3394415
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| Formula |
C27H31N5O2
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| Molecular Weight |
457.578
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2
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| InChI |
InChI=1S/C27H31N5O2/c28-17-18-4-6-22(7-5-18)31-8-10-32(11-9-31)24-3-1-2-23(29-24)26(33)30-25-20-12-19-13-21(25)16-27(34,14-19)15-20/h1-7,19-21,25,34H,8-16H2,(H,30,33)/t19?,20?,21?,25-,27-
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| InChIKey |
SFRMZQRVZHWXHO-MWQOACSISA-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