General Information of the Compound
| Compound ID |
CP0576629
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| Compound Name |
[(7S)-17-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-15-methyl-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaen-5-yl]-[(3R)-oxolan-3-yl]methanone
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| Structure |
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| Formula |
C29H32F3N5O3
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| Molecular Weight |
555.601
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CCN4c3cc12)C(=O)[C@@H]1CCOC1)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C29H32F3N5O3/c1-16(20-4-3-5-21(26(20)30)27(31)32)33-28-22-12-24-25(13-23(22)34-17(2)35-28)40-11-7-19-14-36(8-9-37(19)24)29(38)18-6-10-39-15-18/h3-5,12-13,16,18-19,27H,6-11,14-15H2,1-2H3,(H,33,34,35)/t16-,18-,19+/m1/s1
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| InChIKey |
TWOJWNZJHSSQKH-QRQLOZEOSA-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