General Information of the Compound
| Compound ID |
CP0430090
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| Compound Name |
US9193736, 169
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| Formula |
C32H31N5O3
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| Molecular Weight |
533.632
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)-c1c(nc2c(ccnn12)N1CCOCC1)[C@H]1C[C@@H](C1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C32H31N5O3/c38-29(39)12-7-21-5-8-23(9-6-21)31-30(35-32-28(13-14-33-37(31)32)36-15-17-40-18-16-36)25-19-24(20-25)27-11-10-22-3-1-2-4-26(22)34-27/h1-6,8-11,13-14,24-25H,7,12,15-20H2,(H,38,39)/t24-,25-
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| InChIKey |
LDCUXBYGYWRBTO-SOAUALDESA-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